[3-(1-aminoethyl)piperidin-1-yl]-[2-[(2-chlorophenyl)methoxy]phenyl]methanone

C21H25ClN2O2 — CID 119595906

IUPAC[3-(1-aminoethyl)piperidin-1-yl]-[2-[(2-chlorophenyl)methoxy]phenyl]methanone
SMILESCC(N)C1CCCN(C(=O)c2ccccc2OCc2ccccc2Cl)C1
InChIInChI=1S/C21H25ClN2O2/c1-15(23)16-8-6-12-24(13-16)21(25)18-9-3-5-11-20(18)26-14-17-7-2-4-10-19(17)22/h2-5,7,9-11,15-16H,6,8,12-14,23H2,1H3
InChIKeyDBMYVKKUFROJRY-UHFFFAOYSA-N
MW372.90 g/mol
LogP4.12
Rot. Bonds5

About [3-(1-aminoethyl)piperidin-1-yl]-[2-[(2-chlorophenyl)methoxy]phenyl]methanone

[3-(1-aminoethyl)piperidin-1-yl]-[2-[(2-chlorophenyl)methoxy]phenyl]methanone (PubChem CID 119595906) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is [3-(1-aminoethyl)piperidin-1-yl]-[2-[(2-chlorophenyl)methoxy]phenyl]methanone.

Molecular Properties

Compound Name[3-(1-aminoethyl)piperidin-1-yl]-[2-[(2-chlorophenyl)methoxy]phenyl]methanone
PubChem CID119595906
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name[3-(1-aminoethyl)piperidin-1-yl]-[2-[(2-chlorophenyl)methoxy]phenyl]methanone
SMILESCC(N)C1CCCN(C(=O)c2ccccc2OCc2ccccc2Cl)C1
InChIInChI=1S/C21H25ClN2O2/c1-15(23)16-8-6-12-24(13-16)21(25)18-9-3-5-11-20(18)26-14-17-7-2-4-10-19(17)22/h2-5,7,9-11,15-16H,6,8,12-14,23H2,1H3
InChIKeyDBMYVKKUFROJRY-UHFFFAOYSA-N
XLogP4.12
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(1-aminoethyl)piperidin-1-yl]-[2-[(2-chlorophenyl)methoxy]phenyl]methanone 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

[3-(1-aminoethyl)piperidin-1-yl]-[2-(2-methoxyethoxy)phenyl]methanone;hydrochloride
CID 119596410
[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-[2-[2-(dimethylamino)ethoxy]phenyl]methanone
CID 124688335
[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(2-benzylphenyl)methanone
CID 125135374
1-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-3-(2-chlorophenyl)propan-1-one
CID 125146242
[2-[(2-chlorophenyl)methoxy]phenyl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 60525709
ethyl 1-[2-[(2-chlorophenyl)methoxy]benzoyl]piperidine-4-carboxylate
CID 27555052
[2-[(2-chlorophenyl)methoxy]phenyl]-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride
CID 119638428
[2-[(2-chlorophenyl)methoxy]phenyl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 27660944
[3-(1-aminoethyl)piperidin-1-yl]-[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]methanone;hydrochloride
CID 119596816
[2-[(2-chlorophenyl)methoxy]phenyl]-piperazin-1-ylmethanone
CID 83475674
(3-hydroxypiperidin-1-yl)-[2-[(2-methylphenyl)methoxy]phenyl]methanone
CID 110883794
[3-(1-aminoethyl)piperidin-1-yl]-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methanone;hydrochloride
CID 119596054

Frequently Asked Questions

What is the IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-[2-[(2-chlorophenyl)methoxy]phenyl]methanone?
The IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-[2-[(2-chlorophenyl)methoxy]phenyl]methanone (CID 119595906) is [3-(1-aminoethyl)piperidin-1-yl]-[2-[(2-chlorophenyl)methoxy]phenyl]methanone.
What is the SMILES notation for [3-(1-aminoethyl)piperidin-1-yl]-[2-[(2-chlorophenyl)methoxy]phenyl]methanone?
The canonical SMILES for [3-(1-aminoethyl)piperidin-1-yl]-[2-[(2-chlorophenyl)methoxy]phenyl]methanone is CC(N)C1CCCN(C(=O)c2ccccc2OCc2ccccc2Cl)C1.
What is the InChIKey of [3-(1-aminoethyl)piperidin-1-yl]-[2-[(2-chlorophenyl)methoxy]phenyl]methanone?
The InChIKey is DBMYVKKUFROJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-15(23)16-8-6-12-24(13-16)21(25)18-9-3-5-11-20(18)26-14-17-7-2-4-10-19(17)22/h2-5,7,9-11,15-16H,6,8,12-14,23H2,1H3.
What are the key properties of [3-(1-aminoethyl)piperidin-1-yl]-[2-[(2-chlorophenyl)methoxy]phenyl]methanone?
[3-(1-aminoethyl)piperidin-1-yl]-[2-[(2-chlorophenyl)methoxy]phenyl]methanone has a molecular weight of 372.90 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-aminoethyl)piperidin-1-yl]-[2-[(2-chlorophenyl)methoxy]phenyl]methanone is sourced from PubChem (CID 119595906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).