1-(3-chloro-4-methoxyphenyl)-5-cyclopropyl-2-ethyl-5-methylpiperazine

C17H25ClN2O — CID 64935659

IUPAC1-(3-chloro-4-methoxyphenyl)-5-cyclopropyl-2-ethyl-5-methylpiperazine
SMILESCCC1CNC(C)(C2CC2)CN1c1ccc(OC)c(Cl)c1
InChIInChI=1S/C17H25ClN2O/c1-4-13-10-19-17(2,12-5-6-12)11-20(13)14-7-8-16(21-3)15(18)9-14/h7-9,12-13,19H,4-6,10-11H2,1-3H3
InChIKeyGHVASPWIQCIYAC-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.71
Rot. Bonds4

About 1-(3-chloro-4-methoxyphenyl)-5-cyclopropyl-2-ethyl-5-methylpiperazine

1-(3-chloro-4-methoxyphenyl)-5-cyclopropyl-2-ethyl-5-methylpiperazine (PubChem CID 64935659) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-5-cyclopropyl-2-ethyl-5-methylpiperazine.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-5-cyclopropyl-2-ethyl-5-methylpiperazine
PubChem CID64935659
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name1-(3-chloro-4-methoxyphenyl)-5-cyclopropyl-2-ethyl-5-methylpiperazine
SMILESCCC1CNC(C)(C2CC2)CN1c1ccc(OC)c(Cl)c1
InChIInChI=1S/C17H25ClN2O/c1-4-13-10-19-17(2,12-5-6-12)11-20(13)14-7-8-16(21-3)15(18)9-14/h7-9,12-13,19H,4-6,10-11H2,1-3H3
InChIKeyGHVASPWIQCIYAC-UHFFFAOYSA-N
XLogP3.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(3-Chloro-2-methoxyphenyl)piperazine
CID 21073158
1-(3-Chloro-4-methoxyphenyl)-3-[2-(4-methyl-1-piperidinyl)ethyl]thiourea
CID 972870
N-(3-chloro-4-methoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 3245729
N'-(3-chloro-4-methoxyphenyl)-N-isopropyl-N-(1-isopropylpiperidin-4-yl)thiourea
CID 4053099
3-(3-Chloro-4-methoxy-phenyl)-1-isoamyl-1-(1-isopropyl-4-piperidyl)thiourea
CID 24761488
1-(3,5-dichloro-4-methoxyphenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine;hydrobromide
CID 49860012
(2S)-2-(carbamoylamino)-N-(3-chloro-4-methoxyphenyl)-3-methylbutanamide
CID 2107433
N-(3-chloro-4-methoxyphenyl)-2-[cyclohexyl(methyl)amino]acetamide
CID 2549278
N'-(3-chloro-4-methoxyphenyl)-N,N-diethylethanediamide
CID 2196963
Methyl 1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 2460757
N-(3-chloro-4-methoxyphenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 2522322
N-(3-chloro-4-methoxyphenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]propanamide
CID 17508262

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-5-cyclopropyl-2-ethyl-5-methylpiperazine?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-5-cyclopropyl-2-ethyl-5-methylpiperazine (CID 64935659) is 1-(3-chloro-4-methoxyphenyl)-5-cyclopropyl-2-ethyl-5-methylpiperazine.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-5-cyclopropyl-2-ethyl-5-methylpiperazine?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-5-cyclopropyl-2-ethyl-5-methylpiperazine is CCC1CNC(C)(C2CC2)CN1c1ccc(OC)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-5-cyclopropyl-2-ethyl-5-methylpiperazine?
The InChIKey is GHVASPWIQCIYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-4-13-10-19-17(2,12-5-6-12)11-20(13)14-7-8-16(21-3)15(18)9-14/h7-9,12-13,19H,4-6,10-11H2,1-3H3.
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-5-cyclopropyl-2-ethyl-5-methylpiperazine?
1-(3-chloro-4-methoxyphenyl)-5-cyclopropyl-2-ethyl-5-methylpiperazine has a molecular weight of 308.85 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-5-cyclopropyl-2-ethyl-5-methylpiperazine is sourced from PubChem (CID 64935659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).