[2-chloro-6-(4-propylpiperidin-1-yl)phenyl]methanol

C15H22ClNO — CID 55050268

IUPAC[2-chloro-6-(4-propylpiperidin-1-yl)phenyl]methanol
SMILESCCCC1CCN(c2cccc(Cl)c2CO)CC1
InChIInChI=1S/C15H22ClNO/c1-2-4-12-7-9-17(10-8-12)15-6-3-5-14(16)13(15)11-18/h3,5-6,12,18H,2,4,7-11H2,1H3
InChIKeyFKJPPAMMJVILIK-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.85
Rot. Bonds4

About [2-chloro-6-(4-propylpiperidin-1-yl)phenyl]methanol

[2-chloro-6-(4-propylpiperidin-1-yl)phenyl]methanol (PubChem CID 55050268) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is [2-chloro-6-(4-propylpiperidin-1-yl)phenyl]methanol.

Molecular Properties

Compound Name[2-chloro-6-(4-propylpiperidin-1-yl)phenyl]methanol
PubChem CID55050268
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name[2-chloro-6-(4-propylpiperidin-1-yl)phenyl]methanol
SMILESCCCC1CCN(c2cccc(Cl)c2CO)CC1
InChIInChI=1S/C15H22ClNO/c1-2-4-12-7-9-17(10-8-12)15-6-3-5-14(16)13(15)11-18/h3,5-6,12,18H,2,4,7-11H2,1H3
InChIKeyFKJPPAMMJVILIK-UHFFFAOYSA-N
XLogP3.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(4-propylpiperidin-1-yl)phenyl]methanol?
The IUPAC name of [2-chloro-6-(4-propylpiperidin-1-yl)phenyl]methanol (CID 55050268) is [2-chloro-6-(4-propylpiperidin-1-yl)phenyl]methanol.
What is the SMILES notation for [2-chloro-6-(4-propylpiperidin-1-yl)phenyl]methanol?
The canonical SMILES for [2-chloro-6-(4-propylpiperidin-1-yl)phenyl]methanol is CCCC1CCN(c2cccc(Cl)c2CO)CC1.
What is the InChIKey of [2-chloro-6-(4-propylpiperidin-1-yl)phenyl]methanol?
The InChIKey is FKJPPAMMJVILIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-2-4-12-7-9-17(10-8-12)15-6-3-5-14(16)13(15)11-18/h3,5-6,12,18H,2,4,7-11H2,1H3.
What are the key properties of [2-chloro-6-(4-propylpiperidin-1-yl)phenyl]methanol?
[2-chloro-6-(4-propylpiperidin-1-yl)phenyl]methanol has a molecular weight of 267.80 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-(4-propylpiperidin-1-yl)phenyl]methanol is sourced from PubChem (CID 55050268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).