2-[1-[3-chloro-2-(hydroxymethyl)phenyl]piperidin-3-yl]ethanol

C14H20ClNO2 — CID 107227924

IUPAC2-[1-[3-chloro-2-(hydroxymethyl)phenyl]piperidin-3-yl]ethanol
SMILESOCCC1CCCN(c2cccc(Cl)c2CO)C1
InChIInChI=1S/C14H20ClNO2/c15-13-4-1-5-14(12(13)10-18)16-7-2-3-11(9-16)6-8-17/h1,4-5,11,17-18H,2-3,6-10H2
InChIKeyXRDPXHFYSYVAJZ-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.43
Rot. Bonds4

About 2-[1-[3-chloro-2-(hydroxymethyl)phenyl]piperidin-3-yl]ethanol

2-[1-[3-chloro-2-(hydroxymethyl)phenyl]piperidin-3-yl]ethanol (PubChem CID 107227924) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 2-[1-[3-chloro-2-(hydroxymethyl)phenyl]piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[3-chloro-2-(hydroxymethyl)phenyl]piperidin-3-yl]ethanol
PubChem CID107227924
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name2-[1-[3-chloro-2-(hydroxymethyl)phenyl]piperidin-3-yl]ethanol
SMILESOCCC1CCCN(c2cccc(Cl)c2CO)C1
InChIInChI=1S/C14H20ClNO2/c15-13-4-1-5-14(12(13)10-18)16-7-2-3-11(9-16)6-8-17/h1,4-5,11,17-18H,2-3,6-10H2
InChIKeyXRDPXHFYSYVAJZ-UHFFFAOYSA-N
XLogP2.43
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-chloro-2-(hydroxymethyl)phenyl]piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-[3-chloro-2-(hydroxymethyl)phenyl]piperidin-3-yl]ethanol (CID 107227924) is 2-[1-[3-chloro-2-(hydroxymethyl)phenyl]piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[3-chloro-2-(hydroxymethyl)phenyl]piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[3-chloro-2-(hydroxymethyl)phenyl]piperidin-3-yl]ethanol is OCCC1CCCN(c2cccc(Cl)c2CO)C1.
What is the InChIKey of 2-[1-[3-chloro-2-(hydroxymethyl)phenyl]piperidin-3-yl]ethanol?
The InChIKey is XRDPXHFYSYVAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c15-13-4-1-5-14(12(13)10-18)16-7-2-3-11(9-16)6-8-17/h1,4-5,11,17-18H,2-3,6-10H2.
What are the key properties of 2-[1-[3-chloro-2-(hydroxymethyl)phenyl]piperidin-3-yl]ethanol?
2-[1-[3-chloro-2-(hydroxymethyl)phenyl]piperidin-3-yl]ethanol has a molecular weight of 269.77 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-chloro-2-(hydroxymethyl)phenyl]piperidin-3-yl]ethanol is sourced from PubChem (CID 107227924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).