[2-(1-chloropiperidin-4-yl)phenyl]methanol

C12H16ClNO — CID 88589238

IUPAC[2-(1-chloropiperidin-4-yl)phenyl]methanol
SMILESOCc1ccccc1C1CCN(Cl)CC1
InChIInChI=1S/C12H16ClNO/c13-14-7-5-10(6-8-14)12-4-2-1-3-11(12)9-15/h1-4,10,15H,5-9H2
InChIKeyBSZQHKWSHRXZBK-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.51
Rot. Bonds2

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

[2-(1-chloropiperidin-4-yl)phenyl]methanol (PubChem CID 88589238) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is [2-(1-chloropiperidin-4-yl)phenyl]methanol.

Molecular Properties

Compound Name[2-(1-chloropiperidin-4-yl)phenyl]methanol
PubChem CID88589238
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name[2-(1-chloropiperidin-4-yl)phenyl]methanol
SMILESOCc1ccccc1C1CCN(Cl)CC1
InChIInChI=1S/C12H16ClNO/c13-14-7-5-10(6-8-14)12-4-2-1-3-11(12)9-15/h1-4,10,15H,5-9H2
InChIKeyBSZQHKWSHRXZBK-UHFFFAOYSA-N
XLogP2.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(1-chloropiperidin-4-yl)phenyl]methanol?
The IUPAC name of [2-(1-chloropiperidin-4-yl)phenyl]methanol (CID 88589238) is [2-(1-chloropiperidin-4-yl)phenyl]methanol.
What is the SMILES notation for [2-(1-chloropiperidin-4-yl)phenyl]methanol?
The canonical SMILES for [2-(1-chloropiperidin-4-yl)phenyl]methanol is OCc1ccccc1C1CCN(Cl)CC1.
What is the InChIKey of [2-(1-chloropiperidin-4-yl)phenyl]methanol?
The InChIKey is BSZQHKWSHRXZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c13-14-7-5-10(6-8-14)12-4-2-1-3-11(12)9-15/h1-4,10,15H,5-9H2.
What are the key properties of [2-(1-chloropiperidin-4-yl)phenyl]methanol?
[2-(1-chloropiperidin-4-yl)phenyl]methanol has a molecular weight of 225.72 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-chloropiperidin-4-yl)phenyl]methanol is sourced from PubChem (CID 88589238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).