(4-chlorophenyl)-piperidin-1-ylmethanethione

C12H14ClNS — CID 617434

IUPAC(4-chlorophenyl)-piperidin-1-ylmethanethione
SMILESS=C(c1ccc(Cl)cc1)N1CCCCC1
InChIInChI=1S/C12H14ClNS/c13-11-6-4-10(5-7-11)12(15)14-8-2-1-3-9-14/h4-7H,1-3,8-9H2
InChIKeyJFUQHBHOFBZNPF-UHFFFAOYSA-N
MW239.77 g/mol
LogP3.50
Rot. Bonds1

About (4-chlorophenyl)-piperidin-1-ylmethanethione

(4-chlorophenyl)-piperidin-1-ylmethanethione (PubChem CID 617434) has the molecular formula C12H14ClNS and a molecular weight of 239.77 g/mol. Its IUPAC name is (4-chlorophenyl)-piperidin-1-ylmethanethione.

Molecular Properties

Compound Name(4-chlorophenyl)-piperidin-1-ylmethanethione
PubChem CID617434
Molecular FormulaC12H14ClNS
Molecular Weight239.77 g/mol
Exact Mass239.05
IUPAC Name(4-chlorophenyl)-piperidin-1-ylmethanethione
SMILESS=C(c1ccc(Cl)cc1)N1CCCCC1
InChIInChI=1S/C12H14ClNS/c13-11-6-4-10(5-7-11)12(15)14-8-2-1-3-9-14/h4-7H,1-3,8-9H2
InChIKeyJFUQHBHOFBZNPF-UHFFFAOYSA-N
XLogP3.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.77
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(4-chlorobenzenecarbothioyl)piperazin-1-yl]ethanone
CID 2918695
(4-chlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanethione
CID 975323
1-[1-(4-chlorophenyl)-2-fluoroethenyl]pyrrolidine
CID 54560181
(4-benzylpiperazin-4-ium-1-yl)-(4-chlorophenyl)methanethione
CID 7446558
N-(4-chlorobenzoyl)pyrrolidine-1-carboxamide
CID 6457135
1-(4-chlorobenzenecarbothioyl)pyrrolidine-2,5-dione
CID 134092779
(3-chloro-4-prop-2-enoxyphenyl)-piperidin-1-ylmethanethione
CID 5001144
N-(4-chlorobenzoyl)pyrrolidine-1-carboximidoyl chloride
CID 12618866
N-(4-chlorophenyl)-2-[2-ethoxy-4-(piperidine-1-carbothioyl)phenoxy]acetamide
CID 1285420
N-(2,4-dichlorophenyl)-2-[4-(pyrrolidine-1-carbothioyl)phenoxy]acetamide
CID 126248488
[5-(2,4-dichlorophenyl)furan-2-yl]-piperidin-1-ylmethanethione
CID 746381
1-(4-chlorophenyl)-2-phenylimino-2-piperidin-1-ylethanone
CID 132544776

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-piperidin-1-ylmethanethione?
The IUPAC name of (4-chlorophenyl)-piperidin-1-ylmethanethione (CID 617434) is (4-chlorophenyl)-piperidin-1-ylmethanethione.
What is the SMILES notation for (4-chlorophenyl)-piperidin-1-ylmethanethione?
The canonical SMILES for (4-chlorophenyl)-piperidin-1-ylmethanethione is S=C(c1ccc(Cl)cc1)N1CCCCC1.
What is the InChIKey of (4-chlorophenyl)-piperidin-1-ylmethanethione?
The InChIKey is JFUQHBHOFBZNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNS/c13-11-6-4-10(5-7-11)12(15)14-8-2-1-3-9-14/h4-7H,1-3,8-9H2.
What are the key properties of (4-chlorophenyl)-piperidin-1-ylmethanethione?
(4-chlorophenyl)-piperidin-1-ylmethanethione has a molecular weight of 239.77 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-piperidin-1-ylmethanethione is sourced from PubChem (CID 617434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).