4-cyclohexyl-4-(propan-2-ylsulfanylmethyl)piperidine;hydrochloride

C15H30ClNS — CID 86209349

IUPAC4-cyclohexyl-4-(propan-2-ylsulfanylmethyl)piperidine;hydrochloride
SMILESCC(C)SCC1(C2CCCCC2)CCNCC1.Cl
InChIInChI=1S/C15H29NS.ClH/c1-13(2)17-12-15(8-10-16-11-9-15)14-6-4-3-5-7-14;/h13-14,16H,3-12H2,1-2H3;1H
InChIKeyVBZXXLXDVAIWJN-UHFFFAOYSA-N
MW291.93 g/mol
LogP4.50
Rot. Bonds4

About 4-cyclohexyl-4-(propan-2-ylsulfanylmethyl)piperidine;hydrochloride

4-cyclohexyl-4-(propan-2-ylsulfanylmethyl)piperidine;hydrochloride (PubChem CID 86209349) has the molecular formula C15H30ClNS and a molecular weight of 291.93 g/mol. Its IUPAC name is 4-cyclohexyl-4-(propan-2-ylsulfanylmethyl)piperidine;hydrochloride.

Molecular Properties

Compound Name4-cyclohexyl-4-(propan-2-ylsulfanylmethyl)piperidine;hydrochloride
PubChem CID86209349
Molecular FormulaC15H30ClNS
Molecular Weight291.93 g/mol
Exact Mass291.18
IUPAC Name4-cyclohexyl-4-(propan-2-ylsulfanylmethyl)piperidine;hydrochloride
SMILESCC(C)SCC1(C2CCCCC2)CCNCC1.Cl
InChIInChI=1S/C15H29NS.ClH/c1-13(2)17-12-15(8-10-16-11-9-15)14-6-4-3-5-7-14;/h13-14,16H,3-12H2,1-2H3;1H
InChIKeyVBZXXLXDVAIWJN-UHFFFAOYSA-N
XLogP4.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.93
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-4-(propan-2-ylsulfanylmethyl)piperidine;hydrochloride?
The IUPAC name of 4-cyclohexyl-4-(propan-2-ylsulfanylmethyl)piperidine;hydrochloride (CID 86209349) is 4-cyclohexyl-4-(propan-2-ylsulfanylmethyl)piperidine;hydrochloride.
What is the SMILES notation for 4-cyclohexyl-4-(propan-2-ylsulfanylmethyl)piperidine;hydrochloride?
The canonical SMILES for 4-cyclohexyl-4-(propan-2-ylsulfanylmethyl)piperidine;hydrochloride is CC(C)SCC1(C2CCCCC2)CCNCC1.Cl.
What is the InChIKey of 4-cyclohexyl-4-(propan-2-ylsulfanylmethyl)piperidine;hydrochloride?
The InChIKey is VBZXXLXDVAIWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NS.ClH/c1-13(2)17-12-15(8-10-16-11-9-15)14-6-4-3-5-7-14;/h13-14,16H,3-12H2,1-2H3;1H.
What are the key properties of 4-cyclohexyl-4-(propan-2-ylsulfanylmethyl)piperidine;hydrochloride?
4-cyclohexyl-4-(propan-2-ylsulfanylmethyl)piperidine;hydrochloride has a molecular weight of 291.93 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-4-(propan-2-ylsulfanylmethyl)piperidine;hydrochloride is sourced from PubChem (CID 86209349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).