(1-aminocyclopropyl)-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone;dihydrochloride

C16H24Cl3N3O — CID 119852070

IUPAC(1-aminocyclopropyl)-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone;dihydrochloride
SMILESCC(c1ccccc1Cl)N1CCN(C(=O)C2(N)CC2)CC1.Cl.Cl
InChIInChI=1S/C16H22ClN3O.2ClH/c1-12(13-4-2-3-5-14(13)17)19-8-10-20(11-9-19)15(21)16(18)6-7-16;;/h2-5,12H,6-11,18H2,1H3;2*1H
InChIKeyVLKJSMYQXJSMDQ-UHFFFAOYSA-N
MW380.75 g/mol
LogP2.88
Rot. Bonds3

About (1-aminocyclopropyl)-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone;dihydrochloride

(1-aminocyclopropyl)-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone;dihydrochloride (PubChem CID 119852070) has the molecular formula C16H24Cl3N3O and a molecular weight of 380.75 g/mol. Its IUPAC name is (1-aminocyclopropyl)-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name(1-aminocyclopropyl)-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone;dihydrochloride
PubChem CID119852070
Molecular FormulaC16H24Cl3N3O
Molecular Weight380.75 g/mol
Exact Mass379.10
IUPAC Name(1-aminocyclopropyl)-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone;dihydrochloride
SMILESCC(c1ccccc1Cl)N1CCN(C(=O)C2(N)CC2)CC1.Cl.Cl
InChIInChI=1S/C16H22ClN3O.2ClH/c1-12(13-4-2-3-5-14(13)17)19-8-10-20(11-9-19)15(21)16(18)6-7-16;;/h2-5,12H,6-11,18H2,1H3;2*1H
InChIKeyVLKJSMYQXJSMDQ-UHFFFAOYSA-N
XLogP2.88
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.75
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1-aminocyclopropyl)-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone;dihydrochloride 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

2-amino-1-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-2-methylpropan-1-one
CID 119852079
(2-chlorophenyl)-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone
CID 55362493
(1-aminocyclopropyl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone;trihydrochloride
CID 119903305
(1-aminocyclopentyl)-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone
CID 119877513
[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 46579668
1-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-2-(2-ethoxyphenoxy)ethanone
CID 55563553
2-[4-[(1S)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]phenol
CID 8528818
1-[4-[1-(2-hydroxyphenyl)ethyl]piperazin-1-yl]ethanone
CID 82974185
[5-(aminomethyl)furan-2-yl]-[4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone
CID 124690489
(5-bromofuran-2-yl)-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone
CID 42949339
(E)-1-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-4-(dimethylamino)but-2-en-1-one
CID 166419448
[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 46585046

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopropyl)-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone;dihydrochloride?
The IUPAC name of (1-aminocyclopropyl)-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone;dihydrochloride (CID 119852070) is (1-aminocyclopropyl)-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for (1-aminocyclopropyl)-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone;dihydrochloride?
The canonical SMILES for (1-aminocyclopropyl)-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone;dihydrochloride is CC(c1ccccc1Cl)N1CCN(C(=O)C2(N)CC2)CC1.Cl.Cl.
What is the InChIKey of (1-aminocyclopropyl)-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone;dihydrochloride?
The InChIKey is VLKJSMYQXJSMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O.2ClH/c1-12(13-4-2-3-5-14(13)17)19-8-10-20(11-9-19)15(21)16(18)6-7-16;;/h2-5,12H,6-11,18H2,1H3;2*1H.
What are the key properties of (1-aminocyclopropyl)-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone;dihydrochloride?
(1-aminocyclopropyl)-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone;dihydrochloride has a molecular weight of 380.75 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopropyl)-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 119852070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).