3-(2-piperidin-3-ylethylsulfanyl)propan-1-ol

C10H21NOS — CID 66126809

IUPAC3-(2-piperidin-3-ylethylsulfanyl)propan-1-ol
SMILESOCCCSCCC1CCCNC1
InChIInChI=1S/C10H21NOS/c12-6-2-7-13-8-4-10-3-1-5-11-9-10/h10-12H,1-9H2
InChIKeyNHLHYHFDLQFFRL-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.49
Rot. Bonds6

About 3-(2-piperidin-3-ylethylsulfanyl)propan-1-ol

3-(2-piperidin-3-ylethylsulfanyl)propan-1-ol (PubChem CID 66126809) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 3-(2-piperidin-3-ylethylsulfanyl)propan-1-ol.

Molecular Properties

Compound Name3-(2-piperidin-3-ylethylsulfanyl)propan-1-ol
PubChem CID66126809
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name3-(2-piperidin-3-ylethylsulfanyl)propan-1-ol
SMILESOCCCSCCC1CCCNC1
InChIInChI=1S/C10H21NOS/c12-6-2-7-13-8-4-10-3-1-5-11-9-10/h10-12H,1-9H2
InChIKeyNHLHYHFDLQFFRL-UHFFFAOYSA-N
XLogP1.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2-piperidin-3-ylethylsulfanyl)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(cyclopentylmethylsulfanyl)ethyl]piperidine
CID 63120213
methyl 3-(2-piperidin-3-ylethylsulfanyl)propanoate
CID 62356884
3-[2-(piperidin-3-ylamino)ethylsulfanyl]propan-1-ol
CID 106309561
(3S)-3-(2-hexylsulfanylethyl)pyrrolidine
CID 144571572
piperidin-3-ylmethanol
CID 161361606
2-(2-piperidin-3-ylethoxy)ethanol
CID 104680589
3-(piperidin-3-ylmethylamino)propan-1-ol
CID 80553574
3-[2-(azepan-4-ylamino)ethylsulfanyl]propan-1-ol
CID 106309417
2-[4-(2-piperidin-3-ylethyl)piperazin-1-yl]ethanol
CID 53408974
3-(cyclobutylmethylsulfanyl)propan-1-ol
CID 66127430
(3S)-3-(2-iodoethyl)piperidine
CID 97168699
(3S)-3-heptylpiperidine
CID 155456188

Frequently Asked Questions

What is the IUPAC name of 3-(2-piperidin-3-ylethylsulfanyl)propan-1-ol?
The IUPAC name of 3-(2-piperidin-3-ylethylsulfanyl)propan-1-ol (CID 66126809) is 3-(2-piperidin-3-ylethylsulfanyl)propan-1-ol.
What is the SMILES notation for 3-(2-piperidin-3-ylethylsulfanyl)propan-1-ol?
The canonical SMILES for 3-(2-piperidin-3-ylethylsulfanyl)propan-1-ol is OCCCSCCC1CCCNC1.
What is the InChIKey of 3-(2-piperidin-3-ylethylsulfanyl)propan-1-ol?
The InChIKey is NHLHYHFDLQFFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c12-6-2-7-13-8-4-10-3-1-5-11-9-10/h10-12H,1-9H2.
What are the key properties of 3-(2-piperidin-3-ylethylsulfanyl)propan-1-ol?
3-(2-piperidin-3-ylethylsulfanyl)propan-1-ol has a molecular weight of 203.35 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-piperidin-3-ylethylsulfanyl)propan-1-ol is sourced from PubChem (CID 66126809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).