5-chloropentanenitrile;2-phenylpiperidine

C16H23ClN2 — CID 161132642

IUPAC5-chloropentanenitrile;2-phenylpiperidine
SMILESN#CCCCCCl.c1ccc(C2CCCCN2)cc1
InChIInChI=1S/C11H15N.C5H8ClN/c1-2-6-10(7-3-1)11-8-4-5-9-12-11;6-4-2-1-3-5-7/h1-3,6-7,11-12H,4-5,8-9H2;1-4H2
InChIKeyUMJWEAOLSBHCJJ-UHFFFAOYSA-N
MW278.83 g/mol
LogP4.42
Rot. Bonds4

About 5-chloropentanenitrile;2-phenylpiperidine

5-chloropentanenitrile;2-phenylpiperidine (PubChem CID 161132642) has the molecular formula C16H23ClN2 and a molecular weight of 278.83 g/mol. Its IUPAC name is 5-chloropentanenitrile;2-phenylpiperidine.

Molecular Properties

Compound Name5-chloropentanenitrile;2-phenylpiperidine
PubChem CID161132642
Molecular FormulaC16H23ClN2
Molecular Weight278.83 g/mol
Exact Mass278.15
IUPAC Name5-chloropentanenitrile;2-phenylpiperidine
SMILESN#CCCCCCl.c1ccc(C2CCCCN2)cc1
InChIInChI=1S/C11H15N.C5H8ClN/c1-2-6-10(7-3-1)11-8-4-5-9-12-11;6-4-2-1-3-5-7/h1-3,6-7,11-12H,4-5,8-9H2;1-4H2
InChIKeyUMJWEAOLSBHCJJ-UHFFFAOYSA-N
XLogP4.42
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.83
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-phenylpiperidine
CID 10997356
5-piperidin-2-ylpyridine-2-carbonitrile
CID 55271438
(2S)-2-(3-phenylphenyl)piperidine;hydrochloride
CID 171195217
(2R)-2-(4-chlorophenyl)piperidine;hydrochloride
CID 155903197
(2R)-2-(4-benzylphenyl)pyrrolidine
CID 66519680
3-[(2S)-piperidin-2-yl]phenol
CID 55277853
5-[(2S)-pyrrolidin-2-yl]pyridine-2-carbonitrile
CID 55274675
(2R)-2-(3-chlorophenyl)piperidine;hydrochloride
CID 154574647
2-(4-butoxyphenyl)piperidine
CID 3525424
(2S)-2-(4-bromophenyl)piperidine
CID 7022866
4-piperidin-2-ylphenol
CID 19711202
(2R)-2-(4-ethynylphenyl)piperidine
CID 130616360

Frequently Asked Questions

What is the IUPAC name of 5-chloropentanenitrile;2-phenylpiperidine?
The IUPAC name of 5-chloropentanenitrile;2-phenylpiperidine (CID 161132642) is 5-chloropentanenitrile;2-phenylpiperidine.
What is the SMILES notation for 5-chloropentanenitrile;2-phenylpiperidine?
The canonical SMILES for 5-chloropentanenitrile;2-phenylpiperidine is N#CCCCCCl.c1ccc(C2CCCCN2)cc1.
What is the InChIKey of 5-chloropentanenitrile;2-phenylpiperidine?
The InChIKey is UMJWEAOLSBHCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.C5H8ClN/c1-2-6-10(7-3-1)11-8-4-5-9-12-11;6-4-2-1-3-5-7/h1-3,6-7,11-12H,4-5,8-9H2;1-4H2.
What are the key properties of 5-chloropentanenitrile;2-phenylpiperidine?
5-chloropentanenitrile;2-phenylpiperidine has a molecular weight of 278.83 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloropentanenitrile;2-phenylpiperidine is sourced from PubChem (CID 161132642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).