2-[(3-chloro-4-pyrrolidin-1-ylphenyl)methyl]piperidine

C16H23ClN2 — CID 117447160

IUPAC2-[(3-chloro-4-pyrrolidin-1-ylphenyl)methyl]piperidine
SMILESClc1cc(CC2CCCCN2)ccc1N1CCCC1
InChIInChI=1S/C16H23ClN2/c17-15-12-13(11-14-5-1-2-8-18-14)6-7-16(15)19-9-3-4-10-19/h6-7,12,14,18H,1-5,8-11H2
InChIKeyFHDDWZGERKFKTN-UHFFFAOYSA-N
MW278.83 g/mol
LogP3.62
Rot. Bonds3

About 2-[(3-chloro-4-pyrrolidin-1-ylphenyl)methyl]piperidine

2-[(3-chloro-4-pyrrolidin-1-ylphenyl)methyl]piperidine (PubChem CID 117447160) has the molecular formula C16H23ClN2 and a molecular weight of 278.83 g/mol. Its IUPAC name is 2-[(3-chloro-4-pyrrolidin-1-ylphenyl)methyl]piperidine.

Molecular Properties

Compound Name2-[(3-chloro-4-pyrrolidin-1-ylphenyl)methyl]piperidine
PubChem CID117447160
Molecular FormulaC16H23ClN2
Molecular Weight278.83 g/mol
Exact Mass278.15
IUPAC Name2-[(3-chloro-4-pyrrolidin-1-ylphenyl)methyl]piperidine
SMILESClc1cc(CC2CCCCN2)ccc1N1CCCC1
InChIInChI=1S/C16H23ClN2/c17-15-12-13(11-14-5-1-2-8-18-14)6-7-16(15)19-9-3-4-10-19/h6-7,12,14,18H,1-5,8-11H2
InChIKeyFHDDWZGERKFKTN-UHFFFAOYSA-N
XLogP3.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.83
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(3-chloro-4-pyrrolidin-1-ylphenyl)methyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-chloro-4-methoxyphenyl)methyl]piperidine
CID 82084437
1-[2-chloro-4-(pyrrolidin-2-ylmethyl)phenyl]-1,2,4-triazole
CID 117411512
2-[[2-chloro-4-(fluoromethyl)phenyl]methyl]piperidine
CID 117356635
2-[[3-chloro-4-(methoxymethyl)phenyl]methyl]pyrrolidine
CID 117352079
2-[(3-chlorophenyl)methyl]azepane
CID 5094056
1-[4-methoxy-2-(pyrrolidin-2-ylmethyl)phenyl]pyrrolidine
CID 117405725
2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)piperidine
CID 117360963
(2S)-2-(naphthalen-2-ylmethyl)piperidine
CID 94603397
1-methyl-6-(piperidin-2-ylmethyl)-3,4-dihydroquinolin-2-one
CID 82500114
2-[[3-chloro-4-(cyclopropylmethoxy)phenyl]methyl]pyrrolidine
CID 117418728
(2R)-2-[(4-methylphenyl)methyl]piperidine
CID 7048103
(2S)-2-[(3-chlorophenyl)methyl]pyrrolidine
CID 7022802

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-pyrrolidin-1-ylphenyl)methyl]piperidine?
The IUPAC name of 2-[(3-chloro-4-pyrrolidin-1-ylphenyl)methyl]piperidine (CID 117447160) is 2-[(3-chloro-4-pyrrolidin-1-ylphenyl)methyl]piperidine.
What is the SMILES notation for 2-[(3-chloro-4-pyrrolidin-1-ylphenyl)methyl]piperidine?
The canonical SMILES for 2-[(3-chloro-4-pyrrolidin-1-ylphenyl)methyl]piperidine is Clc1cc(CC2CCCCN2)ccc1N1CCCC1.
What is the InChIKey of 2-[(3-chloro-4-pyrrolidin-1-ylphenyl)methyl]piperidine?
The InChIKey is FHDDWZGERKFKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2/c17-15-12-13(11-14-5-1-2-8-18-14)6-7-16(15)19-9-3-4-10-19/h6-7,12,14,18H,1-5,8-11H2.
What are the key properties of 2-[(3-chloro-4-pyrrolidin-1-ylphenyl)methyl]piperidine?
2-[(3-chloro-4-pyrrolidin-1-ylphenyl)methyl]piperidine has a molecular weight of 278.83 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-pyrrolidin-1-ylphenyl)methyl]piperidine is sourced from PubChem (CID 117447160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).