ethanethiol;1-methyl-4-phenylpiperidine

C14H23NS — CID 142821268

IUPACethanethiol;1-methyl-4-phenylpiperidine
SMILESCCS.CN1CCC(c2ccccc2)CC1
InChIInChI=1S/C12H17N.C2H6S/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11;1-2-3/h2-6,12H,7-10H2,1H3;3H,2H2,1H3
InChIKeyKFDBMRBBQMYBPM-UHFFFAOYSA-N
MW237.41 g/mol
LogP3.43
Rot. Bonds1

About ethanethiol;1-methyl-4-phenylpiperidine

ethanethiol;1-methyl-4-phenylpiperidine (PubChem CID 142821268) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is ethanethiol;1-methyl-4-phenylpiperidine.

Molecular Properties

Compound Nameethanethiol;1-methyl-4-phenylpiperidine
PubChem CID142821268
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC Nameethanethiol;1-methyl-4-phenylpiperidine
SMILESCCS.CN1CCC(c2ccccc2)CC1
InChIInChI=1S/C12H17N.C2H6S/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11;1-2-3/h2-6,12H,7-10H2,1H3;3H,2H2,1H3
InChIKeyKFDBMRBBQMYBPM-UHFFFAOYSA-N
XLogP3.43
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-N-(4-phenylcyclohexyl)piperidin-4-amine
CID 43215929
(1-methylpiperidin-4-yl)-(4-phenylpiperidin-1-yl)methanone
CID 91806523
1-methyl-4-phenylpiperidine;1,2,3,6-tetrahydropyridine
CID 165125144
ethane;1-methyl-4-phenylpiperidine;1,2,3,6-tetrahydropyridine
CID 165124914
1-methyl-3-phenylpyrrolidine;oxalic acid
CID 46907274
CID 145001791
CID 145001791
2-(4-methylpiperazin-1-yl)-1-(4-phenylpiperidin-1-yl)ethanone
CID 141171395
1-(2-chloroethyl)-4-phenylpiperidine
CID 13195407
[4-(1-methylpiperidin-4-yl)phenyl]methanol
CID 58229057
1-bromo-4-phenylpiperidine
CID 89020756
1-fluoro-4-phenylpiperidine
CID 143940552
benzene;cyclopropylbenzene
CID 144638417

Frequently Asked Questions

What is the IUPAC name of ethanethiol;1-methyl-4-phenylpiperidine?
The IUPAC name of ethanethiol;1-methyl-4-phenylpiperidine (CID 142821268) is ethanethiol;1-methyl-4-phenylpiperidine.
What is the SMILES notation for ethanethiol;1-methyl-4-phenylpiperidine?
The canonical SMILES for ethanethiol;1-methyl-4-phenylpiperidine is CCS.CN1CCC(c2ccccc2)CC1.
What is the InChIKey of ethanethiol;1-methyl-4-phenylpiperidine?
The InChIKey is KFDBMRBBQMYBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.C2H6S/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11;1-2-3/h2-6,12H,7-10H2,1H3;3H,2H2,1H3.
What are the key properties of ethanethiol;1-methyl-4-phenylpiperidine?
ethanethiol;1-methyl-4-phenylpiperidine has a molecular weight of 237.41 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanethiol;1-methyl-4-phenylpiperidine is sourced from PubChem (CID 142821268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).