3-chloro-4-(1-methylpiperidin-4-yl)phenol

C12H16ClNO — CID 84690225

IUPAC3-chloro-4-(1-methylpiperidin-4-yl)phenol
SMILESCN1CCC(c2ccc(O)cc2Cl)CC1
InChIInChI=1S/C12H16ClNO/c1-14-6-4-9(5-7-14)11-3-2-10(15)8-12(11)13/h2-3,8-9,15H,4-7H2,1H3
InChIKeyAOLDTEZSRUXDPT-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.85
Rot. Bonds1

About 3-chloro-4-(1-methylpiperidin-4-yl)phenol

3-chloro-4-(1-methylpiperidin-4-yl)phenol (PubChem CID 84690225) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 3-chloro-4-(1-methylpiperidin-4-yl)phenol.

Molecular Properties

Compound Name3-chloro-4-(1-methylpiperidin-4-yl)phenol
PubChem CID84690225
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name3-chloro-4-(1-methylpiperidin-4-yl)phenol
SMILESCN1CCC(c2ccc(O)cc2Cl)CC1
InChIInChI=1S/C12H16ClNO/c1-14-6-4-9(5-7-14)11-3-2-10(15)8-12(11)13/h2-3,8-9,15H,4-7H2,1H3
InChIKeyAOLDTEZSRUXDPT-UHFFFAOYSA-N
XLogP2.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-4-(1-methylpyrrolidin-3-yl)phenol
CID 156814350
4-(3-aminocyclopentyl)-3-chlorophenol
CID 130045784
3-chloro-4-(oxolan-3-yl)phenol
CID 84668553
3-chloro-4-piperidin-3-ylphenol
CID 82612870
4-[(2R)-azetidin-2-yl]-3-chlorophenol
CID 130700334
4-[3-chloro-4-(1-methylpiperidin-4-yl)phenyl]-1-methylpyrazol-5-amine
CID 117490119
N-[[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]methyl]hydroxylamine
CID 117354255
4-(1-methylpiperidin-4-yl)benzene-1,3-diamine
CID 142507693
4-[[2-(1-methylpiperidin-4-yl)phenyl]methyl]phenol
CID 12542639
2,3-dichloro-6-(1-methylpiperidin-4-yl)pyridine
CID 138668007
2-amino-2-[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]ethanol
CID 117390228
1-[4-(4-chloro-2-hydroxyphenyl)piperidin-1-yl]ethanone
CID 140512858

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(1-methylpiperidin-4-yl)phenol?
The IUPAC name of 3-chloro-4-(1-methylpiperidin-4-yl)phenol (CID 84690225) is 3-chloro-4-(1-methylpiperidin-4-yl)phenol.
What is the SMILES notation for 3-chloro-4-(1-methylpiperidin-4-yl)phenol?
The canonical SMILES for 3-chloro-4-(1-methylpiperidin-4-yl)phenol is CN1CCC(c2ccc(O)cc2Cl)CC1.
What is the InChIKey of 3-chloro-4-(1-methylpiperidin-4-yl)phenol?
The InChIKey is AOLDTEZSRUXDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-14-6-4-9(5-7-14)11-3-2-10(15)8-12(11)13/h2-3,8-9,15H,4-7H2,1H3.
What are the key properties of 3-chloro-4-(1-methylpiperidin-4-yl)phenol?
3-chloro-4-(1-methylpiperidin-4-yl)phenol has a molecular weight of 225.72 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(1-methylpiperidin-4-yl)phenol is sourced from PubChem (CID 84690225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).