(2-hydroxyphenyl)-piperidin-1-ylmethanethione

C12H15NOS — CID 16246

IUPAC(2-hydroxyphenyl)-piperidin-1-ylmethanethione
SMILESOc1ccccc1C(=S)N1CCCCC1
InChIInChI=1S/C12H15NOS/c14-11-7-3-2-6-10(11)12(15)13-8-4-1-5-9-13/h2-3,6-7,14H,1,4-5,8-9H2
InChIKeyFDEJXMBAYGPUFC-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.55
Rot. Bonds1

About (2-hydroxyphenyl)-piperidin-1-ylmethanethione

(2-hydroxyphenyl)-piperidin-1-ylmethanethione (PubChem CID 16246) has the molecular formula C12H15NOS and a molecular weight of 221.33 g/mol. Its IUPAC name is (2-hydroxyphenyl)-piperidin-1-ylmethanethione.

Molecular Properties

Compound Name(2-hydroxyphenyl)-piperidin-1-ylmethanethione
PubChem CID16246
Molecular FormulaC12H15NOS
Molecular Weight221.33 g/mol
Exact Mass221.09
IUPAC Name(2-hydroxyphenyl)-piperidin-1-ylmethanethione
SMILESOc1ccccc1C(=S)N1CCCCC1
InChIInChI=1S/C12H15NOS/c14-11-7-3-2-6-10(11)12(15)13-8-4-1-5-9-13/h2-3,6-7,14H,1,4-5,8-9H2
InChIKeyFDEJXMBAYGPUFC-UHFFFAOYSA-N
XLogP2.55
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis[2-hydroxybenzyl]amine
CID 230856
2-((Dimethylamino)methyl)phenol
CID 32897
(2-Hydroxyphenyl)(Pyrrolidin-1-Yl)methanethione
CID 551134
1-(3-Hydroxybenzyl)piperidine
CID 826974
2-(4-Morpholinylmethyl)phenol
CID 225458
(2-Hydroxy-phenyl)-[4-(2-hydroxy-thiobenzoyl)-piperazin-1-yl]-methanethione
CID 586440
Piperidine, 1-[(4-hydroxyphenyl)thioxomethyl]-
CID 613467
(3-Hydroxy-phenyl)-piperidin-1-yl-methanethione
CID 799882
(4-Hydroxyphenyl)-1-pyrrolidinylmethanethione
CID 610094
(2-Hydroxyphenyl)-4-morpholinylmethanethione
CID 16245
4-(4-Hydroxythiobenzoyl)morpholine
CID 289457
2-[(Butylamino)methyl]phenol
CID 487839

Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl)-piperidin-1-ylmethanethione?
The IUPAC name of (2-hydroxyphenyl)-piperidin-1-ylmethanethione (CID 16246) is (2-hydroxyphenyl)-piperidin-1-ylmethanethione.
What is the SMILES notation for (2-hydroxyphenyl)-piperidin-1-ylmethanethione?
The canonical SMILES for (2-hydroxyphenyl)-piperidin-1-ylmethanethione is Oc1ccccc1C(=S)N1CCCCC1.
What is the InChIKey of (2-hydroxyphenyl)-piperidin-1-ylmethanethione?
The InChIKey is FDEJXMBAYGPUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS/c14-11-7-3-2-6-10(11)12(15)13-8-4-1-5-9-13/h2-3,6-7,14H,1,4-5,8-9H2.
What are the key properties of (2-hydroxyphenyl)-piperidin-1-ylmethanethione?
(2-hydroxyphenyl)-piperidin-1-ylmethanethione has a molecular weight of 221.33 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl)-piperidin-1-ylmethanethione is sourced from PubChem (CID 16246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).