2-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]ethanol

C14H19Cl2NO — CID 10637061

IUPAC2-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]ethanol
SMILESOCCC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C14H19Cl2NO/c15-13-2-1-12(9-14(13)16)10-17-6-3-11(4-7-17)5-8-18/h1-2,9,11,18H,3-8,10H2
InChIKeyXEDWHYNCYCMWHT-UHFFFAOYSA-N
MW288.22 g/mol
LogP3.59
Rot. Bonds4

About 2-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]ethanol

2-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]ethanol (PubChem CID 10637061) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is 2-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]ethanol
PubChem CID10637061
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC Name2-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]ethanol
SMILESOCCC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C14H19Cl2NO/c15-13-2-1-12(9-14(13)16)10-17-6-3-11(4-7-17)5-8-18/h1-2,9,11,18H,3-8,10H2
InChIKeyXEDWHYNCYCMWHT-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

1-[(3,4-dichlorophenyl)methyl]-4-propylpiperidine
CID 144996291
[(3S)-1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol
CID 129367742
1-[(3,4-dichlorophenyl)methyl]-4-methylpiperidine
CID 22197662
2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanol
CID 10562587
1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-amine
CID 11382802
2-[1-[(3-chloro-4-methylphenyl)methyl]piperidin-4-yl]ethanamine
CID 106817832
2-[1-[(2-chloro-4-pyridinyl)methyl]pyrrolidin-3-yl]ethanol
CID 115648053
N-[4-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]phenyl]acetamide
CID 46089334
3-[1-[(3-chloro-4-hydroxyphenyl)methyl]piperidin-4-yl]propanoic acid
CID 65062881
2-[1-[[4-(aminomethyl)-2-chlorophenyl]methyl]pyrrolidin-3-yl]ethanol
CID 102663114
2-[1-(thiophen-3-ylmethyl)piperidin-4-yl]ethanol
CID 121200335
(E)-but-2-enedioic acid;2-[4-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]phenyl]ethanol
CID 70599608

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]ethanol?
The IUPAC name of 2-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]ethanol (CID 10637061) is 2-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 2-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]ethanol?
The canonical SMILES for 2-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]ethanol is OCCC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 2-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]ethanol?
The InChIKey is XEDWHYNCYCMWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c15-13-2-1-12(9-14(13)16)10-17-6-3-11(4-7-17)5-8-18/h1-2,9,11,18H,3-8,10H2.
What are the key properties of 2-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]ethanol?
2-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-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-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 10637061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).