1-(2-phenylcyclohexyl)piperidine;hydrochloride

C17H26ClN — CID 3030616

IUPAC1-(2-phenylcyclohexyl)piperidine;hydrochloride
SMILESCl.c1ccc(C2CCCCC2N2CCCCC2)cc1
InChIInChI=1S/C17H25N.ClH/c1-3-9-15(10-4-1)16-11-5-6-12-17(16)18-13-7-2-8-14-18;/h1,3-4,9-10,16-17H,2,5-8,11-14H2;1H
InChIKeyKDLDDWRUPYCNIL-UHFFFAOYSA-N
MW279.85 g/mol
LogP4.62
Rot. Bonds2

About 1-(2-phenylcyclohexyl)piperidine;hydrochloride

1-(2-phenylcyclohexyl)piperidine;hydrochloride (PubChem CID 3030616) has the molecular formula C17H26ClN and a molecular weight of 279.85 g/mol. Its IUPAC name is 1-(2-phenylcyclohexyl)piperidine;hydrochloride.

Molecular Properties

Compound Name1-(2-phenylcyclohexyl)piperidine;hydrochloride
PubChem CID3030616
Molecular FormulaC17H26ClN
Molecular Weight279.85 g/mol
Exact Mass279.18
IUPAC Name1-(2-phenylcyclohexyl)piperidine;hydrochloride
SMILESCl.c1ccc(C2CCCCC2N2CCCCC2)cc1
InChIInChI=1S/C17H25N.ClH/c1-3-9-15(10-4-1)16-11-5-6-12-17(16)18-13-7-2-8-14-18;/h1,3-4,9-10,16-17H,2,5-8,11-14H2;1H
InChIKeyKDLDDWRUPYCNIL-UHFFFAOYSA-N
XLogP4.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.85
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylcyclohexyl)piperidine;hydrochloride?
The IUPAC name of 1-(2-phenylcyclohexyl)piperidine;hydrochloride (CID 3030616) is 1-(2-phenylcyclohexyl)piperidine;hydrochloride.
What is the SMILES notation for 1-(2-phenylcyclohexyl)piperidine;hydrochloride?
The canonical SMILES for 1-(2-phenylcyclohexyl)piperidine;hydrochloride is Cl.c1ccc(C2CCCCC2N2CCCCC2)cc1.
What is the InChIKey of 1-(2-phenylcyclohexyl)piperidine;hydrochloride?
The InChIKey is KDLDDWRUPYCNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N.ClH/c1-3-9-15(10-4-1)16-11-5-6-12-17(16)18-13-7-2-8-14-18;/h1,3-4,9-10,16-17H,2,5-8,11-14H2;1H.
What are the key properties of 1-(2-phenylcyclohexyl)piperidine;hydrochloride?
1-(2-phenylcyclohexyl)piperidine;hydrochloride has a molecular weight of 279.85 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylcyclohexyl)piperidine;hydrochloride is sourced from PubChem (CID 3030616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).