1-[3-(3,5-dichlorophenyl)prop-2-ynyl]-3-methylpiperidine

C15H17Cl2N — CID 10381243

IUPAC1-[3-(3,5-dichlorophenyl)prop-2-ynyl]-3-methylpiperidine
SMILESCC1CCCN(CC#Cc2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C15H17Cl2N/c1-12-4-2-6-18(11-12)7-3-5-13-8-14(16)10-15(17)9-13/h8-10,12H,2,4,6-7,11H2,1H3
InChIKeySPHACVRWTJAASS-UHFFFAOYSA-N
MW282.21 g/mol
LogP4.08
Rot. Bonds1

About 1-[3-(3,5-dichlorophenyl)prop-2-ynyl]-3-methylpiperidine

1-[3-(3,5-dichlorophenyl)prop-2-ynyl]-3-methylpiperidine (PubChem CID 10381243) has the molecular formula C15H17Cl2N and a molecular weight of 282.21 g/mol. Its IUPAC name is 1-[3-(3,5-dichlorophenyl)prop-2-ynyl]-3-methylpiperidine.

Molecular Properties

Compound Name1-[3-(3,5-dichlorophenyl)prop-2-ynyl]-3-methylpiperidine
PubChem CID10381243
Molecular FormulaC15H17Cl2N
Molecular Weight282.21 g/mol
Exact Mass281.07
IUPAC Name1-[3-(3,5-dichlorophenyl)prop-2-ynyl]-3-methylpiperidine
SMILESCC1CCCN(CC#Cc2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C15H17Cl2N/c1-12-4-2-6-18(11-12)7-3-5-13-8-14(16)10-15(17)9-13/h8-10,12H,2,4,6-7,11H2,1H3
InChIKeySPHACVRWTJAASS-UHFFFAOYSA-N
XLogP4.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.21
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(3,5-dichlorophenyl)prop-2-ynyl]pyrrolidine
CID 10989934
1-[3-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-ynyl]-3-methylpiperidine
CID 11110933
N-fluoro-3-(3-methylpiperidin-1-yl)prop-1-yn-1-amine
CID 167067766
(3R)-1-[(2,4-dichlorophenyl)methyl]-3-methylpiperidine
CID 144850667
(2S)-2-(3,5-dichlorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
CID 124552547
1-benzyl-3-methylpiperidine
CID 2794856
(3R)-1-[4-(2,6-dimethoxyphenoxy)but-2-ynyl]-3-methylpiperidine
CID 27241348
3-chloro-5-[2-(3-methylpyrrolidin-1-yl)ethyl]benzonitrile
CID 170957961
3-methyl-1-propylpiperidine;propane
CID 145147959
ethane;3-methyl-1-propylpiperidine
CID 156729460
(3R)-1-[(2-chlorophenyl)methyl]-3-methylpiperidine
CID 42550070
3-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidine
CID 58659547

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dichlorophenyl)prop-2-ynyl]-3-methylpiperidine?
The IUPAC name of 1-[3-(3,5-dichlorophenyl)prop-2-ynyl]-3-methylpiperidine (CID 10381243) is 1-[3-(3,5-dichlorophenyl)prop-2-ynyl]-3-methylpiperidine.
What is the SMILES notation for 1-[3-(3,5-dichlorophenyl)prop-2-ynyl]-3-methylpiperidine?
The canonical SMILES for 1-[3-(3,5-dichlorophenyl)prop-2-ynyl]-3-methylpiperidine is CC1CCCN(CC#Cc2cc(Cl)cc(Cl)c2)C1.
What is the InChIKey of 1-[3-(3,5-dichlorophenyl)prop-2-ynyl]-3-methylpiperidine?
The InChIKey is SPHACVRWTJAASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N/c1-12-4-2-6-18(11-12)7-3-5-13-8-14(16)10-15(17)9-13/h8-10,12H,2,4,6-7,11H2,1H3.
What are the key properties of 1-[3-(3,5-dichlorophenyl)prop-2-ynyl]-3-methylpiperidine?
1-[3-(3,5-dichlorophenyl)prop-2-ynyl]-3-methylpiperidine has a molecular weight of 282.21 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-dichlorophenyl)prop-2-ynyl]-3-methylpiperidine is sourced from PubChem (CID 10381243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).