3-piperidin-1-yl-2-(thian-4-yl)propan-1-ol

C13H25NOS — CID 117239096

IUPAC3-piperidin-1-yl-2-(thian-4-yl)propan-1-ol
SMILESOCC(CN1CCCCC1)C1CCSCC1
InChIInChI=1S/C13H25NOS/c15-11-13(12-4-8-16-9-5-12)10-14-6-2-1-3-7-14/h12-13,15H,1-11H2
InChIKeyCRYKTDDMKLSGQE-UHFFFAOYSA-N
MW243.42 g/mol
LogP2.22
Rot. Bonds4

About 3-piperidin-1-yl-2-(thian-4-yl)propan-1-ol

3-piperidin-1-yl-2-(thian-4-yl)propan-1-ol (PubChem CID 117239096) has the molecular formula C13H25NOS and a molecular weight of 243.42 g/mol. Its IUPAC name is 3-piperidin-1-yl-2-(thian-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-piperidin-1-yl-2-(thian-4-yl)propan-1-ol
PubChem CID117239096
Molecular FormulaC13H25NOS
Molecular Weight243.42 g/mol
Exact Mass243.17
IUPAC Name3-piperidin-1-yl-2-(thian-4-yl)propan-1-ol
SMILESOCC(CN1CCCCC1)C1CCSCC1
InChIInChI=1S/C13H25NOS/c15-11-13(12-4-8-16-9-5-12)10-14-6-2-1-3-7-14/h12-13,15H,1-11H2
InChIKeyCRYKTDDMKLSGQE-UHFFFAOYSA-N
XLogP2.22
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepan-1-yl)-1-(thian-4-yl)ethanamine
CID 117238618
2-(1-ethylpyrrolidin-3-yl)-3-piperidin-1-ylpropan-1-ol
CID 117237653
3-(azepan-1-yl)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol
CID 117237668
2-cyclobutyl-3-morpholin-4-ylpropan-1-ol
CID 117245621
3-(azepan-1-yl)-2-(thiolan-3-yl)propanoic acid
CID 117238165
2-cyclobutyl-3-piperidin-1-ylpropan-1-amine
CID 117245614
4-amino-2-(thian-4-yl)butan-1-ol
CID 115017956
2-(1-ethylpiperidin-4-yl)-3-(4-methylpiperazin-1-yl)propan-1-ol
CID 117239159
methyl 3-(azepan-1-yl)-2-(thiolan-3-yl)propanoate
CID 117238166
1-(thian-4-yl)ethane-1,2-diol
CID 117238988
1-cyclobutyl-2-pyrrolidin-1-ylethanol
CID 117245548
(2S)-3-piperidin-1-ylpropane-1,2-diol
CID 854495

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-yl-2-(thian-4-yl)propan-1-ol?
The IUPAC name of 3-piperidin-1-yl-2-(thian-4-yl)propan-1-ol (CID 117239096) is 3-piperidin-1-yl-2-(thian-4-yl)propan-1-ol.
What is the SMILES notation for 3-piperidin-1-yl-2-(thian-4-yl)propan-1-ol?
The canonical SMILES for 3-piperidin-1-yl-2-(thian-4-yl)propan-1-ol is OCC(CN1CCCCC1)C1CCSCC1.
What is the InChIKey of 3-piperidin-1-yl-2-(thian-4-yl)propan-1-ol?
The InChIKey is CRYKTDDMKLSGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NOS/c15-11-13(12-4-8-16-9-5-12)10-14-6-2-1-3-7-14/h12-13,15H,1-11H2.
What are the key properties of 3-piperidin-1-yl-2-(thian-4-yl)propan-1-ol?
3-piperidin-1-yl-2-(thian-4-yl)propan-1-ol has a molecular weight of 243.42 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-yl-2-(thian-4-yl)propan-1-ol is sourced from PubChem (CID 117239096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).