2-[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]piperidine

C16H23ClN2 — CID 117447151

IUPAC2-[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]piperidine
SMILESCN1CCC(c2ccc(C3CCCCN3)cc2Cl)C1
InChIInChI=1S/C16H23ClN2/c1-19-9-7-13(11-19)14-6-5-12(10-15(14)17)16-4-2-3-8-18-16/h5-6,10,13,16,18H,2-4,7-9,11H2,1H3
InChIKeyNBAXOBTUMDKUBA-UHFFFAOYSA-N
MW278.83 g/mol
LogP3.57
Rot. Bonds2

About 2-[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]piperidine

2-[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]piperidine (PubChem CID 117447151) has the molecular formula C16H23ClN2 and a molecular weight of 278.83 g/mol. Its IUPAC name is 2-[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]piperidine.

Molecular Properties

Compound Name2-[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]piperidine
PubChem CID117447151
Molecular FormulaC16H23ClN2
Molecular Weight278.83 g/mol
Exact Mass278.15
IUPAC Name2-[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]piperidine
SMILESCN1CCC(c2ccc(C3CCCCN3)cc2Cl)C1
InChIInChI=1S/C16H23ClN2/c1-19-9-7-13(11-19)14-6-5-12(10-15(14)17)16-4-2-3-8-18-16/h5-6,10,13,16,18H,2-4,7-9,11H2,1H3
InChIKeyNBAXOBTUMDKUBA-UHFFFAOYSA-N
XLogP3.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.83
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-4-cyclohexylphenyl)pyrrolidine
CID 117414258
3-(2-chloro-4-pyrrolidin-2-ylphenoxy)-1-methylpyrrolidine
CID 117450926
2-chloro-4-[(2R)-piperidin-2-yl]aniline
CID 130690862
3-(3,4-dichlorophenyl)-1-methylpyrrolidine
CID 67174764
2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]piperidine
CID 117469530
1-[(2-chloro-4-piperidin-2-ylphenyl)methyl]piperidine
CID 117472785
1-methyl-4-(3-piperidin-2-ylphenyl)piperazine
CID 117403033
2-(3-bromo-4-chlorophenyl)azepane
CID 107998182
2-chloro-N,N-dimethyl-5-piperidin-2-ylaniline;dihydrochloride
CID 155976846
2-[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]-N-methylethanamine
CID 117384986
(2R)-2-(2,4-dichlorophenyl)piperidine;hydrochloride
CID 171195657
(2S)-2-(4-chloro-3-methylphenyl)pyrrolidine
CID 55253037

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]piperidine?
The IUPAC name of 2-[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]piperidine (CID 117447151) is 2-[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]piperidine.
What is the SMILES notation for 2-[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]piperidine?
The canonical SMILES for 2-[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]piperidine is CN1CCC(c2ccc(C3CCCCN3)cc2Cl)C1.
What is the InChIKey of 2-[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]piperidine?
The InChIKey is NBAXOBTUMDKUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2/c1-19-9-7-13(11-19)14-6-5-12(10-15(14)17)16-4-2-3-8-18-16/h5-6,10,13,16,18H,2-4,7-9,11H2,1H3.
What are the key properties of 2-[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]piperidine?
2-[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]piperidine has a molecular weight of 278.83 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]piperidine is sourced from PubChem (CID 117447151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).