2-[1-[(2,3-dichlorophenyl)methyl]piperidin-3-yl]ethanol

C14H19Cl2NO — CID 113346057

IUPAC2-[1-[(2,3-dichlorophenyl)methyl]piperidin-3-yl]ethanol
SMILESOCCC1CCCN(Cc2cccc(Cl)c2Cl)C1
InChIInChI=1S/C14H19Cl2NO/c15-13-5-1-4-12(14(13)16)10-17-7-2-3-11(9-17)6-8-18/h1,4-5,11,18H,2-3,6-10H2
InChIKeyFMUCDMCXGFCXIY-UHFFFAOYSA-N
MW288.22 g/mol
LogP3.59
Rot. Bonds4

About 2-[1-[(2,3-dichlorophenyl)methyl]piperidin-3-yl]ethanol

2-[1-[(2,3-dichlorophenyl)methyl]piperidin-3-yl]ethanol (PubChem CID 113346057) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is 2-[1-[(2,3-dichlorophenyl)methyl]piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(2,3-dichlorophenyl)methyl]piperidin-3-yl]ethanol
PubChem CID113346057
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC Name2-[1-[(2,3-dichlorophenyl)methyl]piperidin-3-yl]ethanol
SMILESOCCC1CCCN(Cc2cccc(Cl)c2Cl)C1
InChIInChI=1S/C14H19Cl2NO/c15-13-5-1-4-12(14(13)16)10-17-7-2-3-11(9-17)6-8-18/h1,4-5,11,18H,2-3,6-10H2
InChIKeyFMUCDMCXGFCXIY-UHFFFAOYSA-N
XLogP3.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(2-chloro-3-pyridinyl)methyl]piperidin-3-yl]ethanol
CID 62470433
3-chloro-1-[(2,3-dichlorophenyl)methyl]piperidine
CID 107309973
(3S)-1-[(2,3-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 26458106
3-(chloromethyl)-1-[(2,3-dichlorophenyl)methyl]pyrrolidine
CID 107309985
3-(2-chloroethyl)-1-[(2-chloro-3-fluorophenyl)methyl]piperidine
CID 112654364
1-[(2,3-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 66770544
2-[1-[(2-chloro-3-fluorophenyl)methyl]piperidin-3-yl]ethanamine
CID 112652826
1-[(2,3-dichlorophenyl)methyl]azetidine
CID 131042479
2-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728383
(3S)-1-[(2,3-dichlorophenyl)methyl]-3-(methoxymethyl)pyrrolidine
CID 99930436
3-[(3R)-1-[(3-chloro-2-fluorophenyl)methyl]piperidin-3-yl]propanamide
CID 97157958
2-[1-[(2-hydrazinyl-3-pyridinyl)methyl]piperidin-3-yl]ethanol
CID 107228801

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,3-dichlorophenyl)methyl]piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-[(2,3-dichlorophenyl)methyl]piperidin-3-yl]ethanol (CID 113346057) is 2-[1-[(2,3-dichlorophenyl)methyl]piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[(2,3-dichlorophenyl)methyl]piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[(2,3-dichlorophenyl)methyl]piperidin-3-yl]ethanol is OCCC1CCCN(Cc2cccc(Cl)c2Cl)C1.
What is the InChIKey of 2-[1-[(2,3-dichlorophenyl)methyl]piperidin-3-yl]ethanol?
The InChIKey is FMUCDMCXGFCXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c15-13-5-1-4-12(14(13)16)10-17-7-2-3-11(9-17)6-8-18/h1,4-5,11,18H,2-3,6-10H2.
What are the key properties of 2-[1-[(2,3-dichlorophenyl)methyl]piperidin-3-yl]ethanol?
2-[1-[(2,3-dichlorophenyl)methyl]piperidin-3-yl]ethanol has a molecular weight of 288.22 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,3-dichlorophenyl)methyl]piperidin-3-yl]ethanol is sourced from PubChem (CID 113346057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).