(4-chloro-3-methylphenyl)-piperidin-4-ylmethanol

C13H18ClNO — CID 82341457

IUPAC(4-chloro-3-methylphenyl)-piperidin-4-ylmethanol
SMILESCc1cc(C(O)C2CCNCC2)ccc1Cl
InChIInChI=1S/C13H18ClNO/c1-9-8-11(2-3-12(9)14)13(16)10-4-6-15-7-5-10/h2-3,8,10,13,15-16H,4-7H2,1H3
InChIKeyMVUWBSNMLVQPOG-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.68
Rot. Bonds2

About (4-chloro-3-methylphenyl)-piperidin-4-ylmethanol

(4-chloro-3-methylphenyl)-piperidin-4-ylmethanol (PubChem CID 82341457) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is (4-chloro-3-methylphenyl)-piperidin-4-ylmethanol.

Molecular Properties

Compound Name(4-chloro-3-methylphenyl)-piperidin-4-ylmethanol
PubChem CID82341457
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name(4-chloro-3-methylphenyl)-piperidin-4-ylmethanol
SMILESCc1cc(C(O)C2CCNCC2)ccc1Cl
InChIInChI=1S/C13H18ClNO/c1-9-8-11(2-3-12(9)14)13(16)10-4-6-15-7-5-10/h2-3,8,10,13,15-16H,4-7H2,1H3
InChIKeyMVUWBSNMLVQPOG-UHFFFAOYSA-N
XLogP2.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-difluorophenyl)-piperidin-4-ylmethanol
CID 43146486
piperidin-4-yl-(2,4,5-trimethylphenyl)methanol
CID 80503850
azepan-4-yl-(4-chlorophenyl)methanol
CID 84701681
(4-chloro-3-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 115823322
4,5-dichloro-2-[(R)-hydroxy(piperidin-4-yl)methyl]phenol
CID 96823758
4-[(3,4-dichlorophenyl)-fluoromethyl]piperidine
CID 112563633
(5-fluoro-2-methylphenyl)-piperidin-4-ylmethanol
CID 80560260
(5-chloro-4-methylthiophen-2-yl)-piperidin-4-ylmethanol
CID 102764357
cyclooctyl-(3,4-dichlorophenyl)methanol
CID 65023087
(3-bromo-4-chlorophenyl)-cyclopropylmethanol
CID 115566480
(R)-(3,4-dichlorophenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314201
(S)-azetidin-3-yl-(3,4-dichlorophenyl)methanol;hydrochloride
CID 71515954

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methylphenyl)-piperidin-4-ylmethanol?
The IUPAC name of (4-chloro-3-methylphenyl)-piperidin-4-ylmethanol (CID 82341457) is (4-chloro-3-methylphenyl)-piperidin-4-ylmethanol.
What is the SMILES notation for (4-chloro-3-methylphenyl)-piperidin-4-ylmethanol?
The canonical SMILES for (4-chloro-3-methylphenyl)-piperidin-4-ylmethanol is Cc1cc(C(O)C2CCNCC2)ccc1Cl.
What is the InChIKey of (4-chloro-3-methylphenyl)-piperidin-4-ylmethanol?
The InChIKey is MVUWBSNMLVQPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-9-8-11(2-3-12(9)14)13(16)10-4-6-15-7-5-10/h2-3,8,10,13,15-16H,4-7H2,1H3.
What are the key properties of (4-chloro-3-methylphenyl)-piperidin-4-ylmethanol?
(4-chloro-3-methylphenyl)-piperidin-4-ylmethanol has a molecular weight of 239.75 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methylphenyl)-piperidin-4-ylmethanol is sourced from PubChem (CID 82341457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).