4-phenylpiperidine;sulfane;hydrochloride

C11H18ClNS — CID 174499697

IUPAC4-phenylpiperidine;sulfane;hydrochloride
SMILESCl.S.c1ccc(C2CCNCC2)cc1
InChIInChI=1S/C11H15N.ClH.H2S/c1-2-4-10(5-3-1)11-6-8-12-9-7-11;;/h1-5,11-12H,6-9H2;1H;1H2
InChIKeyUKYIIANGFXNSJC-UHFFFAOYSA-N
MW231.79 g/mol
LogP2.69
Rot. Bonds1

About 4-phenylpiperidine;sulfane;hydrochloride

4-phenylpiperidine;sulfane;hydrochloride (PubChem CID 174499697) has the molecular formula C11H18ClNS and a molecular weight of 231.79 g/mol. Its IUPAC name is 4-phenylpiperidine;sulfane;hydrochloride.

Molecular Properties

Compound Name4-phenylpiperidine;sulfane;hydrochloride
PubChem CID174499697
Molecular FormulaC11H18ClNS
Molecular Weight231.79 g/mol
Exact Mass231.08
IUPAC Name4-phenylpiperidine;sulfane;hydrochloride
SMILESCl.S.c1ccc(C2CCNCC2)cc1
InChIInChI=1S/C11H15N.ClH.H2S/c1-2-4-10(5-3-1)11-6-8-12-9-7-11;;/h1-5,11-12H,6-9H2;1H;1H2
InChIKeyUKYIIANGFXNSJC-UHFFFAOYSA-N
XLogP2.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.79
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-phenylpiperidine;sulfane;hydrochloride?
The IUPAC name of 4-phenylpiperidine;sulfane;hydrochloride (CID 174499697) is 4-phenylpiperidine;sulfane;hydrochloride.
What is the SMILES notation for 4-phenylpiperidine;sulfane;hydrochloride?
The canonical SMILES for 4-phenylpiperidine;sulfane;hydrochloride is Cl.S.c1ccc(C2CCNCC2)cc1.
What is the InChIKey of 4-phenylpiperidine;sulfane;hydrochloride?
The InChIKey is UKYIIANGFXNSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.ClH.H2S/c1-2-4-10(5-3-1)11-6-8-12-9-7-11;;/h1-5,11-12H,6-9H2;1H;1H2.
What are the key properties of 4-phenylpiperidine;sulfane;hydrochloride?
4-phenylpiperidine;sulfane;hydrochloride has a molecular weight of 231.79 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylpiperidine;sulfane;hydrochloride is sourced from PubChem (CID 174499697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).