1-[(2,5-dichlorophenyl)methyl]-3-ethylpiperidin-4-ol

C14H19Cl2NO — CID 114511185

IUPAC1-[(2,5-dichlorophenyl)methyl]-3-ethylpiperidin-4-ol
SMILESCCC1CN(Cc2cc(Cl)ccc2Cl)CCC1O
InChIInChI=1S/C14H19Cl2NO/c1-2-10-8-17(6-5-14(10)18)9-11-7-12(15)3-4-13(11)16/h3-4,7,10,14,18H,2,5-6,8-9H2,1H3
InChIKeyVILZDLJBJNXLOT-UHFFFAOYSA-N
MW288.22 g/mol
LogP3.59
Rot. Bonds3

About 1-[(2,5-dichlorophenyl)methyl]-3-ethylpiperidin-4-ol

1-[(2,5-dichlorophenyl)methyl]-3-ethylpiperidin-4-ol (PubChem CID 114511185) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is 1-[(2,5-dichlorophenyl)methyl]-3-ethylpiperidin-4-ol.

Molecular Properties

Compound Name1-[(2,5-dichlorophenyl)methyl]-3-ethylpiperidin-4-ol
PubChem CID114511185
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC Name1-[(2,5-dichlorophenyl)methyl]-3-ethylpiperidin-4-ol
SMILESCCC1CN(Cc2cc(Cl)ccc2Cl)CCC1O
InChIInChI=1S/C14H19Cl2NO/c1-2-10-8-17(6-5-14(10)18)9-11-7-12(15)3-4-13(11)16/h3-4,7,10,14,18H,2,5-6,8-9H2,1H3
InChIKeyVILZDLJBJNXLOT-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(2,5-dichlorophenyl)methyl]-3-ethylpiperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(5-chloro-2-nitrophenyl)methyl]-3-ethylpiperidin-4-ol
CID 114511012
1-benzyl-3-ethylpiperidin-4-ol
CID 23003710
1-[(2,5-dichlorophenyl)methyl]-3-ethylpiperazine
CID 65317407
1-[1-[(2,5-dichlorophenyl)methyl]piperidin-4-yl]ethanamine;hydrochloride
CID 119920676
[1-[(2,5-dichlorophenyl)methyl]piperidin-3-yl]methanamine
CID 65318797
3-ethyl-1-(naphthalen-1-ylmethyl)piperidin-4-ol
CID 114511208
N-[[1-[(2,5-dichlorophenyl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 65318072
(3S)-1-[(5-bromo-2-chlorophenyl)methyl]pyrrolidin-3-ol
CID 103663267
1-benzyl-3-[(2,4-dichlorophenyl)methyl]piperidin-4-ol
CID 110535833
1-[(2,5-dichlorophenyl)methyl]azetidine-3-carboxylic acid
CID 65317178
3-(chloromethyl)-1-[(2,5-dichlorophenyl)methyl]piperidine
CID 65318449
2-[1-[(2,5-dichlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728466

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dichlorophenyl)methyl]-3-ethylpiperidin-4-ol?
The IUPAC name of 1-[(2,5-dichlorophenyl)methyl]-3-ethylpiperidin-4-ol (CID 114511185) is 1-[(2,5-dichlorophenyl)methyl]-3-ethylpiperidin-4-ol.
What is the SMILES notation for 1-[(2,5-dichlorophenyl)methyl]-3-ethylpiperidin-4-ol?
The canonical SMILES for 1-[(2,5-dichlorophenyl)methyl]-3-ethylpiperidin-4-ol is CCC1CN(Cc2cc(Cl)ccc2Cl)CCC1O.
What is the InChIKey of 1-[(2,5-dichlorophenyl)methyl]-3-ethylpiperidin-4-ol?
The InChIKey is VILZDLJBJNXLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c1-2-10-8-17(6-5-14(10)18)9-11-7-12(15)3-4-13(11)16/h3-4,7,10,14,18H,2,5-6,8-9H2,1H3.
What are the key properties of 1-[(2,5-dichlorophenyl)methyl]-3-ethylpiperidin-4-ol?
1-[(2,5-dichlorophenyl)methyl]-3-ethylpiperidin-4-ol has a molecular weight of 288.22 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dichlorophenyl)methyl]-3-ethylpiperidin-4-ol is sourced from PubChem (CID 114511185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).