methyl (3R)-1-(4-chlorobutyl)-4-(4-chlorophenyl)piperidine-3-carboxylate;methyl 4-(4-chlorophenyl)-1-(3-chloropropyl)piperidine-3-carboxylate;methyl (3R)-4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylate;methyl 4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylate;methyl (3R)-4-(4-chlorophenyl)-1-[3-[2-sulfanylethyl-[2-(2-sulfanylethylamino)ethyl]amino]propyl]piperidine-3-carboxylate;methyl 4-(4-chlorophenyl)-1-[3-[2-sulfanylethyl-[2-(2-sulfanylethylamino)ethyl]amino]propyl]piperidine-3-carboxylate

C105H152Cl8N10O12S4 — CID 161174128

IUPACmethyl (3R)-1-(4-chlorobutyl)-4-(4-chlorophenyl)piperidine-3-carboxylate;methyl 4-(4-chlorophenyl)-1-(3-chloropropyl)piperidine-3-carboxylate;methyl (3R)-4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylate;methyl 4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylate;methyl (3R)-4-(4-chlorophenyl)-1-[3-[2-sulfanylethyl-[2-(2-sulfanylethylamino)ethyl]amino]propyl]piperidine-3-carboxylate;methyl 4-(4-chlorophenyl)-1-[3-[2-sulfanylethyl-[2-(2-sulfanylethylamino)ethyl]amino]propyl]piperidine-3-carboxylate
SMILESCOC(=O)C1CN(C)CCC1c1ccc(Cl)cc1.COC(=O)C1CN(CCCCl)CCC1c1ccc(Cl)cc1.COC(=O)C1CN(CCCN(CCS)CCNCCS)CCC1c1ccc(Cl)cc1.COC(=O)[C@H]1CN(C)CCC1c1ccc(Cl)cc1.COC(=O)[C@H]1CN(CCCCCl)CCC1c1ccc(Cl)cc1.COC(=O)[C@H]1CN(CCCN(CCS)CCNCCS)CCC1c1ccc(Cl)cc1
InChIInChI=1S/2C22H36ClN3O2S2.C17H23Cl2NO2.C16H21Cl2NO2.2C14H18ClNO2/c2*1-28-22(27)21-17-26(12-7-20(21)18-3-5-19(23)6-4-18)11-2-10-25(14-16-30)13-8-24-9-15-29;1-22-17(21)16-12-20(10-3-2-9-18)11-8-15(16)13-4-6-14(19)7-5-13;1-21-16(20)15-11-19(9-2-8-17)10-7-14(15)12-3-5-13(18)6-4-12;2*1-16-8-7-12(13(9-16)14(17)18-2)10-3-5-11(15)6-4-10/h2*3-6,20-21,24,29-30H,2,7-17H2,1H3;4-7,15-16H,2-3,8-12H2,1H3;3-6,14-15H,2,7-11H2,1H3;2*3-6,12-13H,7-9H2,1-2H3/t20?,21-;;15?,16-;;12?,13-;/m0.0.0./s1
InChIKeyUROPGUVWHJAJSP-ZCWVSQJWSA-N
MW2158.32 g/mol
LogP18.70
Rot. Bonds41

About methyl (3R)-1-(4-chlorobutyl)-4-(4-chlorophenyl)piperidine-3-carboxylate;methyl 4-(4-chlorophenyl)-1-(3-chloropropyl)piperidine-3-carboxylate;methyl (3R)-4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylate;methyl 4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylate;methyl (3R)-4-(4-chlorophenyl)-1-[3-[2-sulfanylethyl-[2-(2-sulfanylethylamino)ethyl]amino]propyl]piperidine-3-carboxylate;methyl 4-(4-chlorophenyl)-1-[3-[2-sulfanylethyl-[2-(2-sulfanylethylamino)ethyl]amino]propyl]piperidine-3-carboxylate

methyl (3R)-1-(4-chlorobutyl)-4-(4-chlorophenyl)piperidine-3-carboxylate;methyl 4-(4-chlorophenyl)-1-(3-chloropropyl)piperidine-3-carboxylate;methyl (3R)-4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylate;methyl 4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylate;methyl (3R)-4-(4-chlorophenyl)-1-[3-[2-sulfanylethyl-[2-(2-sulfanylethylamino)ethyl]amino]propyl]piperidine-3-carboxylate;methyl 4-(4-chlorophenyl)-1-[3-[2-sulfanylethyl-[2-(2-sulfanylethylamino)ethyl]amino]propyl]piperidine-3-carboxylate (PubChem CID 161174128) has the molecular formula C105H152Cl8N10O12S4 and a molecular weight of 2158.32 g/mol. Its IUPAC name is methyl (3R)-1-(4-chlorobutyl)-4-(4-chlorophenyl)piperidine-3-carboxylate;methyl 4-(4-chlorophenyl)-1-(3-chloropropyl)piperidine-3-carboxylate;methyl (3R)-4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylate;methyl 4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylate;methyl (3R)-4-(4-chlorophenyl)-1-[3-[2-sulfanylethyl-[2-(2-sulfanylethylamino)ethyl]amino]propyl]piperidine-3-carboxylate;methyl 4-(4-chlorophenyl)-1-[3-[2-sulfanylethyl-[2-(2-sulfanylethylamino)ethyl]amino]propyl]piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-1-(4-chlorobutyl)-4-(4-chlorophenyl)piperidine-3-carboxylate;methyl 4-(4-chlorophenyl)-1-(3-chloropropyl)piperidine-3-carboxylate;methyl (3R)-4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylate;methyl 4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylate;methyl (3R)-4-(4-chlorophenyl)-1-[3-[2-sulfanylethyl-[2-(2-sulfanylethylamino)ethyl]amino]propyl]piperidine-3-carboxylate;methyl 4-(4-chlorophenyl)-1-[3-[2-sulfanylethyl-[2-(2-sulfanylethylamino)ethyl]amino]propyl]piperidine-3-carboxylate
PubChem CID161174128
Molecular FormulaC105H152Cl8N10O12S4
Molecular Weight2158.32 g/mol
Exact Mass2152.80
IUPAC Namemethyl (3R)-1-(4-chlorobutyl)-4-(4-chlorophenyl)piperidine-3-carboxylate;methyl 4-(4-chlorophenyl)-1-(3-chloropropyl)piperidine-3-carboxylate;methyl (3R)-4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylate;methyl 4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylate;methyl (3R)-4-(4-chlorophenyl)-1-[3-[2-sulfanylethyl-[2-(2-sulfanylethylamino)ethyl]amino]propyl]piperidine-3-carboxylate;methyl 4-(4-chlorophenyl)-1-[3-[2-sulfanylethyl-[2-(2-sulfanylethylamino)ethyl]amino]propyl]piperidine-3-carboxylate
SMILESCOC(=O)C1CN(C)CCC1c1ccc(Cl)cc1.COC(=O)C1CN(CCCCl)CCC1c1ccc(Cl)cc1.COC(=O)C1CN(CCCN(CCS)CCNCCS)CCC1c1ccc(Cl)cc1.COC(=O)[C@H]1CN(C)CCC1c1ccc(Cl)cc1.COC(=O)[C@H]1CN(CCCCCl)CCC1c1ccc(Cl)cc1.COC(=O)[C@H]1CN(CCCN(CCS)CCNCCS)CCC1c1ccc(Cl)cc1
InChIInChI=1S/2C22H36ClN3O2S2.C17H23Cl2NO2.C16H21Cl2NO2.2C14H18ClNO2/c2*1-28-22(27)21-17-26(12-7-20(21)18-3-5-19(23)6-4-18)11-2-10-25(14-16-30)13-8-24-9-15-29;1-22-17(21)16-12-20(10-3-2-9-18)11-8-15(16)13-4-6-14(19)7-5-13;1-21-16(20)15-11-19(9-2-8-17)10-7-14(15)12-3-5-13(18)6-4-12;2*1-16-8-7-12(13(9-16)14(17)18-2)10-3-5-11(15)6-4-10/h2*3-6,20-21,24,29-30H,2,7-17H2,1H3;4-7,15-16H,2-3,8-12H2,1H3;3-6,14-15H,2,7-11H2,1H3;2*3-6,12-13H,7-9H2,1-2H3/t20?,21-;;15?,16-;;12?,13-;/m0.0.0./s1
InChIKeyUROPGUVWHJAJSP-ZCWVSQJWSA-N
XLogP18.70
TPSA207.78 Ų
H-Bond Donors6
H-Bond Acceptors26
Rotatable Bonds41
Heavy Atoms139
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002158.32
LogP ≤ 518.70
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze methyl (3R)-1-(4-chlorobutyl)-4-(4-chlorophenyl)piperidine-3-carboxylate;methyl 4-(4-chlorophenyl)-1-(3-chloropropyl)piperidine-3-carboxylate;methyl (3R)-4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylate;methyl 4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylate;methyl (3R)-4-(4-chlorophenyl)-1-[3-[2-sulfanylethyl-[2-(2-sulfanylethylamino)ethyl]amino]propyl]piperidine-3-carboxylate;methyl 4-(4-chlorophenyl)-1-[3-[2-sulfanylethyl-[2-(2-sulfanylethylamino)ethyl]amino]propyl]piperidine-3-carboxylate with MolForge

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Related Compounds

2-[2-[[4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl-(2-sulfanylethyl)amino]ethylamino]ethanethiol
CID 12991656
methyl 4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidine-3-carboxylate
CID 59878462
methyl (3R,4S)-4-(4-chlorophenyl)-1-(3-ethoxy-3-oxopropyl)piperidine-3-carboxylate
CID 11100300
5-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidine-3-carbonyl]oxypentyl (3R,4S)-4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylate
CID 10076847
1-bromo-3-chloropropane;2-[2-[3-[(3S)-4-(4-chlorophenyl)-3-methoxycarbonylpiperidin-1-yl]propyl-(2-sulfidoethyl)amino]acetyl]azanidylethanethiolate;methyl (3S)-4-(4-chlorophenyl)-1-(3-chloropropyl)piperidine-3-carboxylate;methyl (3S)-4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylate;methyl (3S)-4-(4-chlorophenyl)-1-[3-[[2-oxo-2-(propylamino)ethyl]-propylamino]propyl]piperidine-3-carboxylate;methyl (3S)-4-(4-chlorophenyl)piperidine-3-carboxylate;oxido(trioxo)technetium;oxotechnetium(4+);N-propyl-2-(propylamino)acetamide
CID 161481036
1-[4-(4-chlorophenyl)-1-[3-(4-methylpiperazin-1-yl)propyl]piperidin-3-yl]ethanone;trihydrochloride
CID 24841961
(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylic acid
CID 10824789
methyl (3R,4R)-1-methyl-4-naphthalen-2-ylpiperidine-3-carboxylate
CID 10660645
[(3R,4R)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl] methyl carbonate
CID 68807567
2-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]-N,N-dimethylacetamide
CID 11471946
2-bromo-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]acetamide;4-(4-chlorophenyl)-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]-1-methylpiperidine-3-carboxamide;4-(4-chlorophenyl)-1-methylpiperidine-3-carbonyl chloride;N'-[[4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl]-N,N'-bis[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]ethane-1,2-diamine;N-[[4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl]-2-[(4-methoxyphenyl)methylsulfanyl]ethanamine;2-[[4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]amino]-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]acetamide;methane;2-[(4-methoxyphenyl)methylsulfanyl]ethanamine;methyl 4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylate
CID 160747315
[4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl acetate
CID 22649568

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-1-(4-chlorobutyl)-4-(4-chlorophenyl)piperidine-3-carboxylate;methyl 4-(4-chlorophenyl)-1-(3-chloropropyl)piperidine-3-carboxylate;methyl (3R)-4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylate;methyl 4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylate;methyl (3R)-4-(4-chlorophenyl)-1-[3-[2-sulfanylethyl-[2-(2-sulfanylethylamino)ethyl]amino]propyl]piperidine-3-carboxylate;methyl 4-(4-chlorophenyl)-1-[3-[2-sulfanylethyl-[2-(2-sulfanylethylamino)ethyl]amino]propyl]piperidine-3-carboxylate?
The IUPAC name of methyl (3R)-1-(4-chlorobutyl)-4-(4-chlorophenyl)piperidine-3-carboxylate;methyl 4-(4-chlorophenyl)-1-(3-chloropropyl)piperidine-3-carboxylate;methyl (3R)-4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylate;methyl 4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylate;methyl (3R)-4-(4-chlorophenyl)-1-[3-[2-sulfanylethyl-[2-(2-sulfanylethylamino)ethyl]amino]propyl]piperidine-3-carboxylate;methyl 4-(4-chlorophenyl)-1-[3-[2-sulfanylethyl-[2-(2-sulfanylethylamino)ethyl]amino]propyl]piperidine-3-carboxylate (CID 161174128) is methyl (3R)-1-(4-chlorobutyl)-4-(4-chlorophenyl)piperidine-3-carboxylate;methyl 4-(4-chlorophenyl)-1-(3-chloropropyl)piperidine-3-carboxylate;methyl (3R)-4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylate;methyl 4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylate;methyl (3R)-4-(4-chlorophenyl)-1-[3-[2-sulfanylethyl-[2-(2-sulfanylethylamino)ethyl]amino]propyl]piperidine-3-carboxylate;methyl 4-(4-chlorophenyl)-1-[3-[2-sulfanylethyl-[2-(2-sulfanylethylamino)ethyl]amino]propyl]piperidine-3-carboxylate.
What is the SMILES notation for methyl (3R)-1-(4-chlorobutyl)-4-(4-chlorophenyl)piperidine-3-carboxylate;methyl 4-(4-chlorophenyl)-1-(3-chloropropyl)piperidine-3-carboxylate;methyl (3R)-4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylate;methyl 4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylate;methyl (3R)-4-(4-chlorophenyl)-1-[3-[2-sulfanylethyl-[2-(2-sulfanylethylamino)ethyl]amino]propyl]piperidine-3-carboxylate;methyl 4-(4-chlorophenyl)-1-[3-[2-sulfanylethyl-[2-(2-sulfanylethylamino)ethyl]amino]propyl]piperidine-3-carboxylate?
The canonical SMILES for methyl (3R)-1-(4-chlorobutyl)-4-(4-chlorophenyl)piperidine-3-carboxylate;methyl 4-(4-chlorophenyl)-1-(3-chloropropyl)piperidine-3-carboxylate;methyl (3R)-4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylate;methyl 4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylate;methyl (3R)-4-(4-chlorophenyl)-1-[3-[2-sulfanylethyl-[2-(2-sulfanylethylamino)ethyl]amino]propyl]piperidine-3-carboxylate;methyl 4-(4-chlorophenyl)-1-[3-[2-sulfanylethyl-[2-(2-sulfanylethylamino)ethyl]amino]propyl]piperidine-3-carboxylate is COC(=O)C1CN(C)CCC1c1ccc(Cl)cc1.COC(=O)C1CN(CCCCl)CCC1c1ccc(Cl)cc1.COC(=O)C1CN(CCCN(CCS)CCNCCS)CCC1c1ccc(Cl)cc1.COC(=O)[C@H]1CN(C)CCC1c1ccc(Cl)cc1.COC(=O)[C@H]1CN(CCCCCl)CCC1c1ccc(Cl)cc1.COC(=O)[C@H]1CN(CCCN(CCS)CCNCCS)CCC1c1ccc(Cl)cc1.
What is the InChIKey of methyl (3R)-1-(4-chlorobutyl)-4-(4-chlorophenyl)piperidine-3-carboxylate;methyl 4-(4-chlorophenyl)-1-(3-chloropropyl)piperidine-3-carboxylate;methyl (3R)-4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylate;methyl 4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylate;methyl (3R)-4-(4-chlorophenyl)-1-[3-[2-sulfanylethyl-[2-(2-sulfanylethylamino)ethyl]amino]propyl]piperidine-3-carboxylate;methyl 4-(4-chlorophenyl)-1-[3-[2-sulfanylethyl-[2-(2-sulfanylethylamino)ethyl]amino]propyl]piperidine-3-carboxylate?
The InChIKey is UROPGUVWHJAJSP-ZCWVSQJWSA-N. The full InChI is InChI=1S/2C22H36ClN3O2S2.C17H23Cl2NO2.C16H21Cl2NO2.2C14H18ClNO2/c2*1-28-22(27)21-17-26(12-7-20(21)18-3-5-19(23)6-4-18)11-2-10-25(14-16-30)13-8-24-9-15-29;1-22-17(21)16-12-20(10-3-2-9-18)11-8-15(16)13-4-6-14(19)7-5-13;1-21-16(20)15-11-19(9-2-8-17)10-7-14(15)12-3-5-13(18)6-4-12;2*1-16-8-7-12(13(9-16)14(17)18-2)10-3-5-11(15)6-4-10/h2*3-6,20-21,24,29-30H,2,7-17H2,1H3;4-7,15-16H,2-3,8-12H2,1H3;3-6,14-15H,2,7-11H2,1H3;2*3-6,12-13H,7-9H2,1-2H3/t20?,21-;;15?,16-;;12?,13-;/m0.0.0./s1.
What are the key properties of methyl (3R)-1-(4-chlorobutyl)-4-(4-chlorophenyl)piperidine-3-carboxylate;methyl 4-(4-chlorophenyl)-1-(3-chloropropyl)piperidine-3-carboxylate;methyl (3R)-4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylate;methyl 4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylate;methyl (3R)-4-(4-chlorophenyl)-1-[3-[2-sulfanylethyl-[2-(2-sulfanylethylamino)ethyl]amino]propyl]piperidine-3-carboxylate;methyl 4-(4-chlorophenyl)-1-[3-[2-sulfanylethyl-[2-(2-sulfanylethylamino)ethyl]amino]propyl]piperidine-3-carboxylate?
methyl (3R)-1-(4-chlorobutyl)-4-(4-chlorophenyl)piperidine-3-carboxylate;methyl 4-(4-chlorophenyl)-1-(3-chloropropyl)piperidine-3-carboxylate;methyl (3R)-4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylate;methyl 4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylate;methyl (3R)-4-(4-chlorophenyl)-1-[3-[2-sulfanylethyl-[2-(2-sulfanylethylamino)ethyl]amino]propyl]piperidine-3-carboxylate;methyl 4-(4-chlorophenyl)-1-[3-[2-sulfanylethyl-[2-(2-sulfanylethylamino)ethyl]amino]propyl]piperidine-3-carboxylate has a molecular weight of 2158.32 g/mol, XLogP of 18.70, 41 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-1-(4-chlorobutyl)-4-(4-chlorophenyl)piperidine-3-carboxylate;methyl 4-(4-chlorophenyl)-1-(3-chloropropyl)piperidine-3-carboxylate;methyl (3R)-4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylate;methyl 4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylate;methyl (3R)-4-(4-chlorophenyl)-1-[3-[2-sulfanylethyl-[2-(2-sulfanylethylamino)ethyl]amino]propyl]piperidine-3-carboxylate;methyl 4-(4-chlorophenyl)-1-[3-[2-sulfanylethyl-[2-(2-sulfanylethylamino)ethyl]amino]propyl]piperidine-3-carboxylate is sourced from PubChem (CID 161174128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).