4-[4-(4-sulfanylbut-1-enyl)phenyl]piperidin-4-ol

C15H21NOS — CID 170479285

IUPAC4-[4-(4-sulfanylbut-1-enyl)phenyl]piperidin-4-ol
SMILESOC1(c2ccc(C=CCCS)cc2)CCNCC1
InChIInChI=1S/C15H21NOS/c17-15(8-10-16-11-9-15)14-6-4-13(5-7-14)3-1-2-12-18/h1,3-7,16-18H,2,8-12H2
InChIKeyLSCLVZIXXWKTML-UHFFFAOYSA-N
MW263.41 g/mol
LogP2.59
Rot. Bonds4

About 4-[4-(4-sulfanylbut-1-enyl)phenyl]piperidin-4-ol

4-[4-(4-sulfanylbut-1-enyl)phenyl]piperidin-4-ol (PubChem CID 170479285) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is 4-[4-(4-sulfanylbut-1-enyl)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[4-(4-sulfanylbut-1-enyl)phenyl]piperidin-4-ol
PubChem CID170479285
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name4-[4-(4-sulfanylbut-1-enyl)phenyl]piperidin-4-ol
SMILESOC1(c2ccc(C=CCCS)cc2)CCNCC1
InChIInChI=1S/C15H21NOS/c17-15(8-10-16-11-9-15)14-6-4-13(5-7-14)3-1-2-12-18/h1,3-7,16-18H,2,8-12H2
InChIKeyLSCLVZIXXWKTML-UHFFFAOYSA-N
XLogP2.59
TPSA32.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-[4-(4-hydroxypiperidin-4-yl)phenyl]prop-2-enal
CID 169459908
4-(4-methylphenyl)but-3-ene-1-thiol
CID 170477722
9H-fluoren-9-ylmethyl N-[3-[4-(4-hydroxypiperidin-4-yl)phenyl]prop-2-enyl]carbamate
CID 169470517
4-(4-benzylphenyl)piperidin-4-ol
CID 15057300
4-[4-(methylamino)phenyl]but-3-ene-1-thiol
CID 170478038
4-(4-propan-2-ylphenyl)but-3-ene-1-thiol
CID 170478133
4-(3,5-dimethylphenyl)piperidin-4-ol
CID 23149822
4-(3,4-difluorophenyl)piperidin-4-ol;hydrochloride
CID 129319882
4-[(E)-2-(4-fluorophenyl)ethenyl]piperidin-4-ol
CID 59003476
4-amino-1-[4-(4-hydroxypiperidin-4-yl)phenyl]butane-1,2-diol
CID 171882245
4-oxo-4-[4-(4-sulfanylbut-1-enyl)phenyl]butanoic acid
CID 170479249
2-bromo-4-(4-sulfanylbut-1-enyl)phenol
CID 170479387

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-sulfanylbut-1-enyl)phenyl]piperidin-4-ol?
The IUPAC name of 4-[4-(4-sulfanylbut-1-enyl)phenyl]piperidin-4-ol (CID 170479285) is 4-[4-(4-sulfanylbut-1-enyl)phenyl]piperidin-4-ol.
What is the SMILES notation for 4-[4-(4-sulfanylbut-1-enyl)phenyl]piperidin-4-ol?
The canonical SMILES for 4-[4-(4-sulfanylbut-1-enyl)phenyl]piperidin-4-ol is OC1(c2ccc(C=CCCS)cc2)CCNCC1.
What is the InChIKey of 4-[4-(4-sulfanylbut-1-enyl)phenyl]piperidin-4-ol?
The InChIKey is LSCLVZIXXWKTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c17-15(8-10-16-11-9-15)14-6-4-13(5-7-14)3-1-2-12-18/h1,3-7,16-18H,2,8-12H2.
What are the key properties of 4-[4-(4-sulfanylbut-1-enyl)phenyl]piperidin-4-ol?
4-[4-(4-sulfanylbut-1-enyl)phenyl]piperidin-4-ol has a molecular weight of 263.41 g/mol, XLogP of 2.59, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-sulfanylbut-1-enyl)phenyl]piperidin-4-ol is sourced from PubChem (CID 170479285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).