1-(3,4-dichlorophenyl)-N-methyl-1-(1-pentylpiperidin-3-yl)methanamine

C18H28Cl2N2 — CID 174413272

IUPAC1-(3,4-dichlorophenyl)-N-methyl-1-(1-pentylpiperidin-3-yl)methanamine
SMILESCCCCCN1CCCC(C(NC)c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C18H28Cl2N2/c1-3-4-5-10-22-11-6-7-15(13-22)18(21-2)14-8-9-16(19)17(20)12-14/h8-9,12,15,18,21H,3-7,10-11,13H2,1-2H3
InChIKeyQPEZGDMJDRWRDV-UHFFFAOYSA-N
MW343.34 g/mol
LogP5.16
Rot. Bonds7

About 1-(3,4-dichlorophenyl)-N-methyl-1-(1-pentylpiperidin-3-yl)methanamine

1-(3,4-dichlorophenyl)-N-methyl-1-(1-pentylpiperidin-3-yl)methanamine (PubChem CID 174413272) has the molecular formula C18H28Cl2N2 and a molecular weight of 343.34 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-methyl-1-(1-pentylpiperidin-3-yl)methanamine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-methyl-1-(1-pentylpiperidin-3-yl)methanamine
PubChem CID174413272
Molecular FormulaC18H28Cl2N2
Molecular Weight343.34 g/mol
Exact Mass342.16
IUPAC Name1-(3,4-dichlorophenyl)-N-methyl-1-(1-pentylpiperidin-3-yl)methanamine
SMILESCCCCCN1CCCC(C(NC)c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C18H28Cl2N2/c1-3-4-5-10-22-11-6-7-15(13-22)18(21-2)14-8-9-16(19)17(20)12-14/h8-9,12,15,18,21H,3-7,10-11,13H2,1-2H3
InChIKeyQPEZGDMJDRWRDV-UHFFFAOYSA-N
XLogP5.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.34
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dichlorophenyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine
CID 81492344
2-[(3S)-1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]hexanoic acid;dihydrochloride
CID 142749248
N-ethyl-1-(1-pentylpiperidin-3-yl)ethanamine
CID 63852706
N-[(3,4-dichlorophenyl)-[(3R)-1-(2,2-diphenylethyl)piperidin-3-yl]methyl]piperazine-1-carboxamide
CID 140563126
[(3,4-dichlorophenyl)-(4-propylmorpholin-2-yl)methyl]hydrazine
CID 105247889
1-(3-bromo-4-chlorophenyl)-1-cyclohexyl-N-methylmethanamine
CID 113337112
4-chloro-3-fluoro-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
CID 43721347
3-(1-nonylpiperidin-3-yl)butanoic acid
CID 81047349
1-butyl-N-methylpiperidin-3-amine
CID 62534430
N-[1-(1-propylpiperidin-3-yl)ethyl]pentan-1-amine
CID 43307476
1-(3,4-dichlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine
CID 81491760
2,4,6-trichloro-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
CID 43308707

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-methyl-1-(1-pentylpiperidin-3-yl)methanamine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-methyl-1-(1-pentylpiperidin-3-yl)methanamine (CID 174413272) is 1-(3,4-dichlorophenyl)-N-methyl-1-(1-pentylpiperidin-3-yl)methanamine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-methyl-1-(1-pentylpiperidin-3-yl)methanamine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-methyl-1-(1-pentylpiperidin-3-yl)methanamine is CCCCCN1CCCC(C(NC)c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-methyl-1-(1-pentylpiperidin-3-yl)methanamine?
The InChIKey is QPEZGDMJDRWRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28Cl2N2/c1-3-4-5-10-22-11-6-7-15(13-22)18(21-2)14-8-9-16(19)17(20)12-14/h8-9,12,15,18,21H,3-7,10-11,13H2,1-2H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N-methyl-1-(1-pentylpiperidin-3-yl)methanamine?
1-(3,4-dichlorophenyl)-N-methyl-1-(1-pentylpiperidin-3-yl)methanamine has a molecular weight of 343.34 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-methyl-1-(1-pentylpiperidin-3-yl)methanamine is sourced from PubChem (CID 174413272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).