4-[(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]piperidine

C16H23ClN2 — CID 95557007

IUPAC4-[(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]piperidine
SMILESClc1ccc(CN2CC[C@H](C3CCNCC3)C2)cc1
InChIInChI=1S/C16H23ClN2/c17-16-3-1-13(2-4-16)11-19-10-7-15(12-19)14-5-8-18-9-6-14/h1-4,14-15,18H,5-12H2/t15-/m0/s1
InChIKeyZFSMTOLZEIAVKI-HNNXBMFYSA-N
MW278.83 g/mol
LogP3.16
Rot. Bonds3

About 4-[(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]piperidine

4-[(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]piperidine (PubChem CID 95557007) has the molecular formula C16H23ClN2 and a molecular weight of 278.83 g/mol. Its IUPAC name is 4-[(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]piperidine.

Molecular Properties

Compound Name4-[(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]piperidine
PubChem CID95557007
Molecular FormulaC16H23ClN2
Molecular Weight278.83 g/mol
Exact Mass278.15
IUPAC Name4-[(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]piperidine
SMILESClc1ccc(CN2CC[C@H](C3CCNCC3)C2)cc1
InChIInChI=1S/C16H23ClN2/c17-16-3-1-13(2-4-16)11-19-10-7-15(12-19)14-5-8-18-9-6-14/h1-4,14-15,18H,5-12H2/t15-/m0/s1
InChIKeyZFSMTOLZEIAVKI-HNNXBMFYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]piperidine?
The IUPAC name of 4-[(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]piperidine (CID 95557007) is 4-[(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]piperidine.
What is the SMILES notation for 4-[(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]piperidine?
The canonical SMILES for 4-[(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]piperidine is Clc1ccc(CN2CC[C@H](C3CCNCC3)C2)cc1.
What is the InChIKey of 4-[(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]piperidine?
The InChIKey is ZFSMTOLZEIAVKI-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H23ClN2/c17-16-3-1-13(2-4-16)11-19-10-7-15(12-19)14-5-8-18-9-6-14/h1-4,14-15,18H,5-12H2/t15-/m0/s1.
What are the key properties of 4-[(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]piperidine?
4-[(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]piperidine has a molecular weight of 278.83 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]piperidine is sourced from PubChem (CID 95557007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).