1-(3,4-dichlorophenyl)-2-(3-methylpiperidin-1-yl)ethanol

C14H19Cl2NO — CID 82216087

IUPAC1-(3,4-dichlorophenyl)-2-(3-methylpiperidin-1-yl)ethanol
SMILESCC1CCCN(CC(O)c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C14H19Cl2NO/c1-10-3-2-6-17(8-10)9-14(18)11-4-5-12(15)13(16)7-11/h4-5,7,10,14,18H,2-3,6,8-9H2,1H3
InChIKeyCWWIVHSULAYXOJ-UHFFFAOYSA-N
MW288.22 g/mol
LogP3.76
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-2-(3-methylpiperidin-1-yl)ethanol

1-(3,4-dichlorophenyl)-2-(3-methylpiperidin-1-yl)ethanol (PubChem CID 82216087) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2-(3-methylpiperidin-1-yl)ethanol.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2-(3-methylpiperidin-1-yl)ethanol
PubChem CID82216087
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC Name1-(3,4-dichlorophenyl)-2-(3-methylpiperidin-1-yl)ethanol
SMILESCC1CCCN(CC(O)c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C14H19Cl2NO/c1-10-3-2-6-17(8-10)9-14(18)11-4-5-12(15)13(16)7-11/h4-5,7,10,14,18H,2-3,6,8-9H2,1H3
InChIKeyCWWIVHSULAYXOJ-UHFFFAOYSA-N
XLogP3.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylpiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanol
CID 54944272
1-(3,4-difluorophenyl)-2-(3-methylpiperidin-1-yl)ethanol
CID 82217074
2-(3-methylpiperidin-1-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 82215815
(1S)-1-(4-fluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanol
CID 100852909
(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3S)-3-methylpiperidin-1-yl]ethanol
CID 95054921
1-(3-aminophenyl)-2-(3-methylpiperidin-1-yl)ethanol
CID 62264397
1-(4-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethanol
CID 54944956
2-(3-methylpiperidin-1-yl)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 60981654
1-[5-[1-hydroxy-2-(3-methylpiperidin-1-yl)ethyl]-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 16676708
1-[1-[(2R)-2-(3,4-dichlorophenyl)-2-hydroxyethyl]pyrrolidin-3-yl]-1,3,3-trimethylurea
CID 167928518
1-[6-[1-hydroxy-2-(3-methylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 16672044
1-[6-[(1R)-1-hydroxy-2-[(3S)-3-methylpiperidin-1-yl]ethyl]-3,4-dihydro-2H-quinolin-1-yl]-2,2-dimethylpropan-1-one
CID 51872126

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-2-(3-methylpiperidin-1-yl)ethanol?
The IUPAC name of 1-(3,4-dichlorophenyl)-2-(3-methylpiperidin-1-yl)ethanol (CID 82216087) is 1-(3,4-dichlorophenyl)-2-(3-methylpiperidin-1-yl)ethanol.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2-(3-methylpiperidin-1-yl)ethanol?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2-(3-methylpiperidin-1-yl)ethanol is CC1CCCN(CC(O)c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2-(3-methylpiperidin-1-yl)ethanol?
The InChIKey is CWWIVHSULAYXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c1-10-3-2-6-17(8-10)9-14(18)11-4-5-12(15)13(16)7-11/h4-5,7,10,14,18H,2-3,6,8-9H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-2-(3-methylpiperidin-1-yl)ethanol?
1-(3,4-dichlorophenyl)-2-(3-methylpiperidin-1-yl)ethanol has a molecular weight of 288.22 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-2-(3-methylpiperidin-1-yl)ethanol is sourced from PubChem (CID 82216087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).