(5-chloro-4-methylthiophen-2-yl)-piperidin-4-ylmethanol

C11H16ClNOS — CID 102764357

IUPAC(5-chloro-4-methylthiophen-2-yl)-piperidin-4-ylmethanol
SMILESCc1cc(C(O)C2CCNCC2)sc1Cl
InChIInChI=1S/C11H16ClNOS/c1-7-6-9(15-11(7)12)10(14)8-2-4-13-5-3-8/h6,8,10,13-14H,2-5H2,1H3
InChIKeyHIIKFPNWMKUOND-UHFFFAOYSA-N
MW245.77 g/mol
LogP2.74
Rot. Bonds2

About (5-chloro-4-methylthiophen-2-yl)-piperidin-4-ylmethanol

(5-chloro-4-methylthiophen-2-yl)-piperidin-4-ylmethanol (PubChem CID 102764357) has the molecular formula C11H16ClNOS and a molecular weight of 245.77 g/mol. Its IUPAC name is (5-chloro-4-methylthiophen-2-yl)-piperidin-4-ylmethanol.

Molecular Properties

Compound Name(5-chloro-4-methylthiophen-2-yl)-piperidin-4-ylmethanol
PubChem CID102764357
Molecular FormulaC11H16ClNOS
Molecular Weight245.77 g/mol
Exact Mass245.06
IUPAC Name(5-chloro-4-methylthiophen-2-yl)-piperidin-4-ylmethanol
SMILESCc1cc(C(O)C2CCNCC2)sc1Cl
InChIInChI=1S/C11H16ClNOS/c1-7-6-9(15-11(7)12)10(14)8-2-4-13-5-3-8/h6,8,10,13-14H,2-5H2,1H3
InChIKeyHIIKFPNWMKUOND-UHFFFAOYSA-N
XLogP2.74
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.77
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dimethylthiophen-2-yl)-piperidin-4-ylmethanol
CID 81156188
(4-chloro-3-methylphenyl)-piperidin-4-ylmethanol
CID 82341457
piperidin-4-yl-(2,4,5-trimethylphenyl)methanol
CID 80503850
(1S)-1-(5-chloro-4-methylthiophen-2-yl)ethanol
CID 102765292
(8-methoxy-6-methylthieno[2,3-c]quinolin-2-yl)-piperidin-4-ylmethanol
CID 141424186
1-(5-chloro-4-methylthiophen-2-yl)-2-methylpropan-1-ol
CID 102764468
5-[bromo(cycloheptyl)methyl]-2-chloro-3-methylthiophene
CID 102765001
1-(5-chloro-4-methylthiophen-2-yl)-2-cyclopropylpropan-1-amine
CID 102763474
(5-bromo-4-methylthiophen-2-yl)-cycloheptylmethanol
CID 79991365
1-(5-chloro-4-methylthiophen-2-yl)pentan-1-ol
CID 102764394
1-(5-chloro-4-methylthiophen-2-yl)-4-methylpentan-1-ol
CID 102764586
2-chloro-5-(1-chloro-2-cyclobutylethyl)-3-methylthiophene
CID 103166064

Frequently Asked Questions

What is the IUPAC name of (5-chloro-4-methylthiophen-2-yl)-piperidin-4-ylmethanol?
The IUPAC name of (5-chloro-4-methylthiophen-2-yl)-piperidin-4-ylmethanol (CID 102764357) is (5-chloro-4-methylthiophen-2-yl)-piperidin-4-ylmethanol.
What is the SMILES notation for (5-chloro-4-methylthiophen-2-yl)-piperidin-4-ylmethanol?
The canonical SMILES for (5-chloro-4-methylthiophen-2-yl)-piperidin-4-ylmethanol is Cc1cc(C(O)C2CCNCC2)sc1Cl.
What is the InChIKey of (5-chloro-4-methylthiophen-2-yl)-piperidin-4-ylmethanol?
The InChIKey is HIIKFPNWMKUOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNOS/c1-7-6-9(15-11(7)12)10(14)8-2-4-13-5-3-8/h6,8,10,13-14H,2-5H2,1H3.
What are the key properties of (5-chloro-4-methylthiophen-2-yl)-piperidin-4-ylmethanol?
(5-chloro-4-methylthiophen-2-yl)-piperidin-4-ylmethanol has a molecular weight of 245.77 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-4-methylthiophen-2-yl)-piperidin-4-ylmethanol is sourced from PubChem (CID 102764357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).