[4-chloro-2-(2-methylpiperidin-1-yl)phenyl]methanol

C13H18ClNO — CID 114845110

IUPAC[4-chloro-2-(2-methylpiperidin-1-yl)phenyl]methanol
SMILESCC1CCCCN1c1cc(Cl)ccc1CO
InChIInChI=1S/C13H18ClNO/c1-10-4-2-3-7-15(10)13-8-12(14)6-5-11(13)9-16/h5-6,8,10,16H,2-4,7,9H2,1H3
InChIKeyYCWCKGXOFLQVEI-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.21
Rot. Bonds2

About [4-chloro-2-(2-methylpiperidin-1-yl)phenyl]methanol

[4-chloro-2-(2-methylpiperidin-1-yl)phenyl]methanol (PubChem CID 114845110) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is [4-chloro-2-(2-methylpiperidin-1-yl)phenyl]methanol.

Molecular Properties

Compound Name[4-chloro-2-(2-methylpiperidin-1-yl)phenyl]methanol
PubChem CID114845110
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name[4-chloro-2-(2-methylpiperidin-1-yl)phenyl]methanol
SMILESCC1CCCCN1c1cc(Cl)ccc1CO
InChIInChI=1S/C13H18ClNO/c1-10-4-2-3-7-15(10)13-8-12(14)6-5-11(13)9-16/h5-6,8,10,16H,2-4,7,9H2,1H3
InChIKeyYCWCKGXOFLQVEI-UHFFFAOYSA-N
XLogP3.21
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-(2-methylpiperidin-1-yl)phenyl]methanol?
The IUPAC name of [4-chloro-2-(2-methylpiperidin-1-yl)phenyl]methanol (CID 114845110) is [4-chloro-2-(2-methylpiperidin-1-yl)phenyl]methanol.
What is the SMILES notation for [4-chloro-2-(2-methylpiperidin-1-yl)phenyl]methanol?
The canonical SMILES for [4-chloro-2-(2-methylpiperidin-1-yl)phenyl]methanol is CC1CCCCN1c1cc(Cl)ccc1CO.
What is the InChIKey of [4-chloro-2-(2-methylpiperidin-1-yl)phenyl]methanol?
The InChIKey is YCWCKGXOFLQVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-10-4-2-3-7-15(10)13-8-12(14)6-5-11(13)9-16/h5-6,8,10,16H,2-4,7,9H2,1H3.
What are the key properties of [4-chloro-2-(2-methylpiperidin-1-yl)phenyl]methanol?
[4-chloro-2-(2-methylpiperidin-1-yl)phenyl]methanol has a molecular weight of 239.75 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-(2-methylpiperidin-1-yl)phenyl]methanol is sourced from PubChem (CID 114845110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).