[2-chloro-6-[4-(dimethylamino)piperidin-1-yl]phenyl]methanol

C14H21ClN2O — CID 43586235

IUPAC[2-chloro-6-[4-(dimethylamino)piperidin-1-yl]phenyl]methanol
SMILESCN(C)C1CCN(c2cccc(Cl)c2CO)CC1
InChIInChI=1S/C14H21ClN2O/c1-16(2)11-6-8-17(9-7-11)14-5-3-4-13(15)12(14)10-18/h3-5,11,18H,6-10H2,1-2H3
InChIKeyVUSYOSFDBKAVIH-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.36
Rot. Bonds3

About [2-chloro-6-[4-(dimethylamino)piperidin-1-yl]phenyl]methanol

[2-chloro-6-[4-(dimethylamino)piperidin-1-yl]phenyl]methanol (PubChem CID 43586235) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is [2-chloro-6-[4-(dimethylamino)piperidin-1-yl]phenyl]methanol.

Molecular Properties

Compound Name[2-chloro-6-[4-(dimethylamino)piperidin-1-yl]phenyl]methanol
PubChem CID43586235
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name[2-chloro-6-[4-(dimethylamino)piperidin-1-yl]phenyl]methanol
SMILESCN(C)C1CCN(c2cccc(Cl)c2CO)CC1
InChIInChI=1S/C14H21ClN2O/c1-16(2)11-6-8-17(9-7-11)14-5-3-4-13(15)12(14)10-18/h3-5,11,18H,6-10H2,1-2H3
InChIKeyVUSYOSFDBKAVIH-UHFFFAOYSA-N
XLogP2.36
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-chloro-6-(4-propylpiperidin-1-yl)phenyl]methanol
CID 55050268
[2-chloro-6-(4-ethoxypiperidin-1-yl)phenyl]methanol
CID 61221101
(2-chloro-6-thiomorpholin-4-ylphenyl)methanol
CID 43121109
2-[1-[3-chloro-2-(hydroxymethyl)phenyl]piperidin-4-yl]acetamide
CID 54989374
[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-6-chlorophenyl]methanol
CID 43620553
[2-chloro-6-(4-methylsulfonylpiperazin-1-yl)phenyl]methanol
CID 62993803
1-(3-chloro-2-nitrophenyl)-N,N-dimethylpiperidin-4-amine
CID 104838828
[2-(4-butan-2-ylpiperazin-1-yl)-6-chlorophenyl]methanol
CID 62774618
[2-chloro-6-(2-methylpyrrolidin-1-yl)phenyl]methanol
CID 60974509
2-[1-[3-chloro-2-(hydroxymethyl)phenyl]piperidin-3-yl]ethanol
CID 107227924
[2-chloro-6-(2,4-dimethylpiperidin-1-yl)phenyl]methanol
CID 62331045
N-[(2-chloro-6-pyrrolidin-1-ylphenyl)methyl]-N-methyl-1-oxothian-4-amine
CID 86782301

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-[4-(dimethylamino)piperidin-1-yl]phenyl]methanol?
The IUPAC name of [2-chloro-6-[4-(dimethylamino)piperidin-1-yl]phenyl]methanol (CID 43586235) is [2-chloro-6-[4-(dimethylamino)piperidin-1-yl]phenyl]methanol.
What is the SMILES notation for [2-chloro-6-[4-(dimethylamino)piperidin-1-yl]phenyl]methanol?
The canonical SMILES for [2-chloro-6-[4-(dimethylamino)piperidin-1-yl]phenyl]methanol is CN(C)C1CCN(c2cccc(Cl)c2CO)CC1.
What is the InChIKey of [2-chloro-6-[4-(dimethylamino)piperidin-1-yl]phenyl]methanol?
The InChIKey is VUSYOSFDBKAVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-16(2)11-6-8-17(9-7-11)14-5-3-4-13(15)12(14)10-18/h3-5,11,18H,6-10H2,1-2H3.
What are the key properties of [2-chloro-6-[4-(dimethylamino)piperidin-1-yl]phenyl]methanol?
[2-chloro-6-[4-(dimethylamino)piperidin-1-yl]phenyl]methanol has a molecular weight of 268.79 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-[4-(dimethylamino)piperidin-1-yl]phenyl]methanol is sourced from PubChem (CID 43586235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).