(4-piperidin-4-ylphenyl)methanethiol

C12H17NS — CID 116988080

IUPAC(4-piperidin-4-ylphenyl)methanethiol
SMILESSCc1ccc(C2CCNCC2)cc1
InChIInChI=1S/C12H17NS/c14-9-10-1-3-11(4-2-10)12-5-7-13-8-6-12/h1-4,12-14H,5-9H2
InChIKeySHNQGLPXHPUOAS-UHFFFAOYSA-N
MW207.34 g/mol
LogP2.58
Rot. Bonds2

About (4-piperidin-4-ylphenyl)methanethiol

(4-piperidin-4-ylphenyl)methanethiol (PubChem CID 116988080) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is (4-piperidin-4-ylphenyl)methanethiol.

Molecular Properties

Compound Name(4-piperidin-4-ylphenyl)methanethiol
PubChem CID116988080
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC Name(4-piperidin-4-ylphenyl)methanethiol
SMILESSCc1ccc(C2CCNCC2)cc1
InChIInChI=1S/C12H17NS/c14-9-10-1-3-11(4-2-10)12-5-7-13-8-6-12/h1-4,12-14H,5-9H2
InChIKeySHNQGLPXHPUOAS-UHFFFAOYSA-N
XLogP2.58
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-piperidin-4-ylphenyl)phenyl]methanamine
CID 116988072
2-(4-piperidin-4-ylphenyl)acetonitrile;hydrochloride
CID 121398834
4-[4-(2-methoxypropyl)phenyl]piperidine
CID 117339147
potassium 4-piperidin-4-ylphenolate
CID 143791971
ethane;4-(4-fluorophenyl)piperidine
CID 144692128
4-(4-bromophenyl)piperidine;hydrochloride
CID 44630758
ethane;4-(4-methylphenyl)piperidine
CID 145467036
4-[4-(oxetan-3-yl)phenyl]piperidine
CID 83836156
4-(4-cyclohexylphenyl)azepane
CID 82300190
4-[(4-pyrrolidin-3-ylphenyl)methyl]piperidine
CID 116988438
4-(4-chlorophenyl)piperidine;ethane
CID 143751340
4-[4-[4-(4-phenylphenyl)phenyl]phenyl]piperidine
CID 146643621

Frequently Asked Questions

What is the IUPAC name of (4-piperidin-4-ylphenyl)methanethiol?
The IUPAC name of (4-piperidin-4-ylphenyl)methanethiol (CID 116988080) is (4-piperidin-4-ylphenyl)methanethiol.
What is the SMILES notation for (4-piperidin-4-ylphenyl)methanethiol?
The canonical SMILES for (4-piperidin-4-ylphenyl)methanethiol is SCc1ccc(C2CCNCC2)cc1.
What is the InChIKey of (4-piperidin-4-ylphenyl)methanethiol?
The InChIKey is SHNQGLPXHPUOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NS/c14-9-10-1-3-11(4-2-10)12-5-7-13-8-6-12/h1-4,12-14H,5-9H2.
What are the key properties of (4-piperidin-4-ylphenyl)methanethiol?
(4-piperidin-4-ylphenyl)methanethiol has a molecular weight of 207.34 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-piperidin-4-ylphenyl)methanethiol is sourced from PubChem (CID 116988080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).