2-chloro-3-piperidin-2-ylphenol

C11H14ClNO — CID 130000735

IUPAC2-chloro-3-piperidin-2-ylphenol
SMILESOc1cccc(C2CCCCN2)c1Cl
InChIInChI=1S/C11H14ClNO/c12-11-8(4-3-6-10(11)14)9-5-1-2-7-13-9/h3-4,6,9,13-14H,1-2,5,7H2
InChIKeyYLHOCYYKIAMYEO-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.86
Rot. Bonds1

About 2-chloro-3-piperidin-2-ylphenol

2-chloro-3-piperidin-2-ylphenol (PubChem CID 130000735) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 2-chloro-3-piperidin-2-ylphenol.

Molecular Properties

Compound Name2-chloro-3-piperidin-2-ylphenol
PubChem CID130000735
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name2-chloro-3-piperidin-2-ylphenol
SMILESOc1cccc(C2CCCCN2)c1Cl
InChIInChI=1S/C11H14ClNO/c12-11-8(4-3-6-10(11)14)9-5-1-2-7-13-9/h3-4,6,9,13-14H,1-2,5,7H2
InChIKeyYLHOCYYKIAMYEO-UHFFFAOYSA-N
XLogP2.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2R)-piperidin-2-yl]benzene-1,2-diol
CID 130665742
3-[(2S)-piperidin-2-yl]benzene-1,2-diol;hydrochloride
CID 171194852
2-[(2R)-piperidin-2-yl]benzene-1,3-diol
CID 130679710
(2S)-2-(2-chloro-3-methylphenyl)pyrrolidine
CID 55274966
2-chloro-6-[(2S)-pyrrolidin-2-yl]phenol
CID 66518543
(2R)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperidine
CID 171195572
4-[(2R)-piperidin-2-yl]naphthalen-1-ol
CID 171195556
2-(3-chloro-2-methylphenyl)piperidine
CID 83392215
(2S)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 171195066
4-[(2R)-piperidin-2-yl]benzene-1,3-diol;hydrochloride
CID 171195341
2-chloro-3-pyrrolidin-2-ylbenzonitrile
CID 130043692
2-(2-chloro-3-methoxyphenyl)pyrrolidine
CID 83703297

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-piperidin-2-ylphenol?
The IUPAC name of 2-chloro-3-piperidin-2-ylphenol (CID 130000735) is 2-chloro-3-piperidin-2-ylphenol.
What is the SMILES notation for 2-chloro-3-piperidin-2-ylphenol?
The canonical SMILES for 2-chloro-3-piperidin-2-ylphenol is Oc1cccc(C2CCCCN2)c1Cl.
What is the InChIKey of 2-chloro-3-piperidin-2-ylphenol?
The InChIKey is YLHOCYYKIAMYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c12-11-8(4-3-6-10(11)14)9-5-1-2-7-13-9/h3-4,6,9,13-14H,1-2,5,7H2.
What are the key properties of 2-chloro-3-piperidin-2-ylphenol?
2-chloro-3-piperidin-2-ylphenol has a molecular weight of 211.69 g/mol, XLogP of 2.86, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-piperidin-2-ylphenol is sourced from PubChem (CID 130000735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).