[1-(4-chlorophenyl)-3-(dimethylamino)piperidin-3-yl]methanol

C14H21ClN2O — CID 117012686

IUPAC[1-(4-chlorophenyl)-3-(dimethylamino)piperidin-3-yl]methanol
SMILESCN(C)C1(CO)CCCN(c2ccc(Cl)cc2)C1
InChIInChI=1S/C14H21ClN2O/c1-16(2)14(11-18)8-3-9-17(10-14)13-6-4-12(15)5-7-13/h4-7,18H,3,8-11H2,1-2H3
InChIKeyMERQAOQSKCPWNR-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.23
Rot. Bonds3

About [1-(4-chlorophenyl)-3-(dimethylamino)piperidin-3-yl]methanol

[1-(4-chlorophenyl)-3-(dimethylamino)piperidin-3-yl]methanol (PubChem CID 117012686) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-3-(dimethylamino)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-3-(dimethylamino)piperidin-3-yl]methanol
PubChem CID117012686
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name[1-(4-chlorophenyl)-3-(dimethylamino)piperidin-3-yl]methanol
SMILESCN(C)C1(CO)CCCN(c2ccc(Cl)cc2)C1
InChIInChI=1S/C14H21ClN2O/c1-16(2)14(11-18)8-3-9-17(10-14)13-6-4-12(15)5-7-13/h4-7,18H,3,8-11H2,1-2H3
InChIKeyMERQAOQSKCPWNR-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-chlorophenyl)-3-(dimethylamino)piperidin-3-yl]methanol
CID 117012684
[1-(2-bromophenyl)-3-(dimethylamino)piperidin-3-yl]methanol
CID 117012693
3-(aminomethyl)-1-(4-ethylphenyl)-N,N-dimethylpiperidin-3-amine
CID 117012738
[3-amino-1-(4-chlorophenyl)pyrrolidin-3-yl]methanol
CID 115035883
[1-(3-bromo-4-methylphenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol
CID 117012414
[1-(4-bromo-3-methylphenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol
CID 117012428
[1-(3-bromophenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol
CID 117012425
[1-(3-chloro-2-methylphenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol
CID 117012409
2-[[1-(4-chlorophenyl)piperidin-3-yl]-methylamino]ethanol
CID 117005013
3-(aminomethyl)-N,N-dimethyl-1-(4-propan-2-ylphenyl)pyrrolidin-3-amine
CID 117012473
1-(4-chlorophenyl)-4-methylpiperidin-4-ol;ethane
CID 155585717
[1-(4-aminophenyl)-3-fluoropiperidin-3-yl]methanol
CID 140572184

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-3-(dimethylamino)piperidin-3-yl]methanol?
The IUPAC name of [1-(4-chlorophenyl)-3-(dimethylamino)piperidin-3-yl]methanol (CID 117012686) is [1-(4-chlorophenyl)-3-(dimethylamino)piperidin-3-yl]methanol.
What is the SMILES notation for [1-(4-chlorophenyl)-3-(dimethylamino)piperidin-3-yl]methanol?
The canonical SMILES for [1-(4-chlorophenyl)-3-(dimethylamino)piperidin-3-yl]methanol is CN(C)C1(CO)CCCN(c2ccc(Cl)cc2)C1.
What is the InChIKey of [1-(4-chlorophenyl)-3-(dimethylamino)piperidin-3-yl]methanol?
The InChIKey is MERQAOQSKCPWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-16(2)14(11-18)8-3-9-17(10-14)13-6-4-12(15)5-7-13/h4-7,18H,3,8-11H2,1-2H3.
What are the key properties of [1-(4-chlorophenyl)-3-(dimethylamino)piperidin-3-yl]methanol?
[1-(4-chlorophenyl)-3-(dimethylamino)piperidin-3-yl]methanol has a molecular weight of 268.79 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)-3-(dimethylamino)piperidin-3-yl]methanol is sourced from PubChem (CID 117012686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).