(3-piperidin-4-ylphenyl)thiourea

C12H17N3S — CID 169357009

IUPAC(3-piperidin-4-ylphenyl)thiourea
SMILESNC(=S)Nc1cccc(C2CCNCC2)c1
InChIInChI=1S/C12H17N3S/c13-12(16)15-11-3-1-2-10(8-11)9-4-6-14-7-5-9/h1-3,8-9,14H,4-7H2,(H3,13,15,16)
InChIKeyOHGYLARZHJHIIO-UHFFFAOYSA-N
MW235.36 g/mol
LogP1.81
Rot. Bonds2

About (3-piperidin-4-ylphenyl)thiourea

(3-piperidin-4-ylphenyl)thiourea (PubChem CID 169357009) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is (3-piperidin-4-ylphenyl)thiourea.

Molecular Properties

Compound Name(3-piperidin-4-ylphenyl)thiourea
PubChem CID169357009
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name(3-piperidin-4-ylphenyl)thiourea
SMILESNC(=S)Nc1cccc(C2CCNCC2)c1
InChIInChI=1S/C12H17N3S/c13-12(16)15-11-3-1-2-10(8-11)9-4-6-14-7-5-9/h1-3,8-9,14H,4-7H2,(H3,13,15,16)
InChIKeyOHGYLARZHJHIIO-UHFFFAOYSA-N
XLogP1.81
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(3-piperidin-4-ylphenyl)piperidine
CID 91123464
2-(5-fluoro-2-methoxyphenyl)-N-(3-piperidin-4-ylphenyl)acetamide
CID 172895402
[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]thiourea
CID 169358190
N-[3-(1-methylpiperidin-4-yl)phenyl]-5-piperidin-4-yl-1,3,4-thiadiazole-2-carboxamide
CID 166314838
4-(3-bromophenyl)piperidine;hydrochloride
CID 46735221
4-(3-phenylphenyl)piperidine
CID 54258001
4-[3-(4,4-dimethylcyclohexyl)phenyl]piperidine
CID 117431735
2-(5-fluoro-2-methoxyphenyl)-N-(3-piperidin-4-ylphenyl)acetamide;2,2,2-trifluoroacetic acid
CID 172895401
2-methyl-2-(3-piperidin-4-ylphenyl)propanamide
CID 160550958
(3S)-N-[3-(1-methylpiperidin-4-yl)phenyl]pyrrolidine-3-carboxamide
CID 166276779
(3-chlorophenyl)thiourea
CID 2734794
1-phenyl-3-[3-[(3R)-piperidin-3-yl]phenyl]urea
CID 124564227

Frequently Asked Questions

What is the IUPAC name of (3-piperidin-4-ylphenyl)thiourea?
The IUPAC name of (3-piperidin-4-ylphenyl)thiourea (CID 169357009) is (3-piperidin-4-ylphenyl)thiourea.
What is the SMILES notation for (3-piperidin-4-ylphenyl)thiourea?
The canonical SMILES for (3-piperidin-4-ylphenyl)thiourea is NC(=S)Nc1cccc(C2CCNCC2)c1.
What is the InChIKey of (3-piperidin-4-ylphenyl)thiourea?
The InChIKey is OHGYLARZHJHIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c13-12(16)15-11-3-1-2-10(8-11)9-4-6-14-7-5-9/h1-3,8-9,14H,4-7H2,(H3,13,15,16).
What are the key properties of (3-piperidin-4-ylphenyl)thiourea?
(3-piperidin-4-ylphenyl)thiourea has a molecular weight of 235.36 g/mol, XLogP of 1.81, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-piperidin-4-ylphenyl)thiourea is sourced from PubChem (CID 169357009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).