3-chloro-4-piperidin-3-ylphenol

C11H14ClNO — CID 82612870

IUPAC3-chloro-4-piperidin-3-ylphenol
SMILESOc1ccc(C2CCCNC2)c(Cl)c1
InChIInChI=1S/C11H14ClNO/c12-11-6-9(14)3-4-10(11)8-2-1-5-13-7-8/h3-4,6,8,13-14H,1-2,5,7H2
InChIKeyITLWXQFTALSWAU-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.51
Rot. Bonds1

About 3-chloro-4-piperidin-3-ylphenol

3-chloro-4-piperidin-3-ylphenol (PubChem CID 82612870) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 3-chloro-4-piperidin-3-ylphenol.

Molecular Properties

Compound Name3-chloro-4-piperidin-3-ylphenol
PubChem CID82612870
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name3-chloro-4-piperidin-3-ylphenol
SMILESOc1ccc(C2CCCNC2)c(Cl)c1
InChIInChI=1S/C11H14ClNO/c12-11-6-9(14)3-4-10(11)8-2-1-5-13-7-8/h3-4,6,8,13-14H,1-2,5,7H2
InChIKeyITLWXQFTALSWAU-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-3-piperidin-3-ylphenol
CID 84678781
(3R)-3-(4-bromo-2-chlorophenyl)piperidine
CID 130852856
3-amino-4-[(3S)-piperidin-3-yl]phenol
CID 130631075
3-chloro-6-piperidin-3-ylbenzene-1,2-diol
CID 117327832
3-(2,3-dichlorophenyl)piperidine
CID 24904244
4-methoxy-3-piperidin-3-ylphenol
CID 117296244
3-chloro-4-[(2S)-pyrrolidin-2-yl]phenol
CID 55252487
3-chloro-4-pyrrolidin-2-ylphenol
CID 55271327
(3S)-3-(2,5-dichlorophenyl)piperidine
CID 93478490
(3S)-3-(5-bromo-2-chlorophenyl)piperidine
CID 130619016
3-chloro-4-piperidin-3-ylpyridine
CID 82399188
3-[3-chloro-4-(oxolan-3-yl)phenyl]piperidine
CID 117418869

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-piperidin-3-ylphenol?
The IUPAC name of 3-chloro-4-piperidin-3-ylphenol (CID 82612870) is 3-chloro-4-piperidin-3-ylphenol.
What is the SMILES notation for 3-chloro-4-piperidin-3-ylphenol?
The canonical SMILES for 3-chloro-4-piperidin-3-ylphenol is Oc1ccc(C2CCCNC2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-piperidin-3-ylphenol?
The InChIKey is ITLWXQFTALSWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c12-11-6-9(14)3-4-10(11)8-2-1-5-13-7-8/h3-4,6,8,13-14H,1-2,5,7H2.
What are the key properties of 3-chloro-4-piperidin-3-ylphenol?
3-chloro-4-piperidin-3-ylphenol has a molecular weight of 211.69 g/mol, XLogP of 2.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-piperidin-3-ylphenol is sourced from PubChem (CID 82612870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).