2-(3-chlorothiophen-2-yl)-1-piperidin-2-ylpropan-2-ol

C12H18ClNOS — CID 107359181

IUPAC2-(3-chlorothiophen-2-yl)-1-piperidin-2-ylpropan-2-ol
SMILESCC(O)(CC1CCCCN1)c1sccc1Cl
InChIInChI=1S/C12H18ClNOS/c1-12(15,11-10(13)5-7-16-11)8-9-4-2-3-6-14-9/h5,7,9,14-15H,2-4,6,8H2,1H3
InChIKeyURBDERYMICDIBY-UHFFFAOYSA-N
MW259.80 g/mol
LogP3.14
Rot. Bonds3

About 2-(3-chlorothiophen-2-yl)-1-piperidin-2-ylpropan-2-ol

2-(3-chlorothiophen-2-yl)-1-piperidin-2-ylpropan-2-ol (PubChem CID 107359181) has the molecular formula C12H18ClNOS and a molecular weight of 259.80 g/mol. Its IUPAC name is 2-(3-chlorothiophen-2-yl)-1-piperidin-2-ylpropan-2-ol.

Molecular Properties

Compound Name2-(3-chlorothiophen-2-yl)-1-piperidin-2-ylpropan-2-ol
PubChem CID107359181
Molecular FormulaC12H18ClNOS
Molecular Weight259.80 g/mol
Exact Mass259.08
IUPAC Name2-(3-chlorothiophen-2-yl)-1-piperidin-2-ylpropan-2-ol
SMILESCC(O)(CC1CCCCN1)c1sccc1Cl
InChIInChI=1S/C12H18ClNOS/c1-12(15,11-10(13)5-7-16-11)8-9-4-2-3-6-14-9/h5,7,9,14-15H,2-4,6,8H2,1H3
InChIKeyURBDERYMICDIBY-UHFFFAOYSA-N
XLogP3.14
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.80
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-methylphenyl)-1-piperidin-2-ylpropan-2-ol
CID 107559678
2-(3-chlorothiophen-2-yl)-1-(cyclopropylamino)propan-2-ol
CID 107361168
2-[2-methyl-4-(trifluoromethyl)phenyl]-1-piperidin-2-ylpropan-2-ol
CID 102751951
2-(3-bromo-2,6-difluorophenyl)-1-piperidin-2-ylpropan-2-ol
CID 106941489
2-(3-chlorothiophen-2-yl)-1-(2-fluorophenyl)propan-2-ol
CID 107359205
1-(4-fluoro-2-methylphenyl)-2-methyl-3-piperidin-2-ylpropan-2-ol
CID 114347033
1-[ethyl(piperidin-2-ylmethyl)amino]-2-phenylpropan-2-ol
CID 106632567
3-chloro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide
CID 106611605
2,6-dichloro-N-(piperidin-2-ylmethyl)aniline
CID 106634051
2-amino-1-(3-chlorothiophen-2-yl)-1-cyclopropylethanol
CID 107359149
2,4,6-trichloro-N-(piperidin-2-ylmethyl)aniline
CID 106633086
N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106622184

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorothiophen-2-yl)-1-piperidin-2-ylpropan-2-ol?
The IUPAC name of 2-(3-chlorothiophen-2-yl)-1-piperidin-2-ylpropan-2-ol (CID 107359181) is 2-(3-chlorothiophen-2-yl)-1-piperidin-2-ylpropan-2-ol.
What is the SMILES notation for 2-(3-chlorothiophen-2-yl)-1-piperidin-2-ylpropan-2-ol?
The canonical SMILES for 2-(3-chlorothiophen-2-yl)-1-piperidin-2-ylpropan-2-ol is CC(O)(CC1CCCCN1)c1sccc1Cl.
What is the InChIKey of 2-(3-chlorothiophen-2-yl)-1-piperidin-2-ylpropan-2-ol?
The InChIKey is URBDERYMICDIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNOS/c1-12(15,11-10(13)5-7-16-11)8-9-4-2-3-6-14-9/h5,7,9,14-15H,2-4,6,8H2,1H3.
What are the key properties of 2-(3-chlorothiophen-2-yl)-1-piperidin-2-ylpropan-2-ol?
2-(3-chlorothiophen-2-yl)-1-piperidin-2-ylpropan-2-ol has a molecular weight of 259.80 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorothiophen-2-yl)-1-piperidin-2-ylpropan-2-ol is sourced from PubChem (CID 107359181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).