(3S)-3-(2-methylpropyl)-1-[(Z)-2-piperidin-2-ylethenyl]piperazine

C15H29N3 — CID 141079354

IUPAC(3S)-3-(2-methylpropyl)-1-[(Z)-2-piperidin-2-ylethenyl]piperazine
SMILESCC(C)C[C@H]1CN(/C=C\C2CCCCN2)CCN1
InChIInChI=1S/C15H29N3/c1-13(2)11-15-12-18(10-8-17-15)9-6-14-5-3-4-7-16-14/h6,9,13-17H,3-5,7-8,10-12H2,1-2H3/b9-6-/t14?,15-/m0/s1
InChIKeyQXVNERLDJWSHDU-WWHUVMKASA-N
MW251.42 g/mol
LogP1.96
Rot. Bonds4

About (3S)-3-(2-methylpropyl)-1-[(Z)-2-piperidin-2-ylethenyl]piperazine

(3S)-3-(2-methylpropyl)-1-[(Z)-2-piperidin-2-ylethenyl]piperazine (PubChem CID 141079354) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is (3S)-3-(2-methylpropyl)-1-[(Z)-2-piperidin-2-ylethenyl]piperazine.

Molecular Properties

Compound Name(3S)-3-(2-methylpropyl)-1-[(Z)-2-piperidin-2-ylethenyl]piperazine
PubChem CID141079354
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name(3S)-3-(2-methylpropyl)-1-[(Z)-2-piperidin-2-ylethenyl]piperazine
SMILESCC(C)C[C@H]1CN(/C=C\C2CCCCN2)CCN1
InChIInChI=1S/C15H29N3/c1-13(2)11-15-12-18(10-8-17-15)9-6-14-5-3-4-7-16-14/h6,9,13-17H,3-5,7-8,10-12H2,1-2H3/b9-6-/t14?,15-/m0/s1
InChIKeyQXVNERLDJWSHDU-WWHUVMKASA-N
XLogP1.96
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-3-(2-methylpropyl)-1-[(Z)-2-piperidin-2-ylethenyl]piperazine 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-cyclohexyl-3-(2-methylpropyl)piperazine
CID 64924419
1-(1-cyclopentylethyl)-3-(2-methylpropyl)piperazine
CID 64953833
1-(1-cyclopropylethyl)-3-(2-methylpropyl)piperazine
CID 64926832
3-[3-(2-methylpropyl)-1,4-diazepan-1-yl]-1-azabicyclo[2.2.2]octane
CID 64944670
1-(1-cyclopropylpropan-2-yl)-3-(2-methylpropyl)piperazine
CID 64951829
1-(4-methylcyclohexyl)-3-(2-methylpropyl)-1,4-diazepane
CID 64942540
1-methanidyl-3-(2-methylpropyl)piperazine
CID 59704463
1-(2,3-dimethylcyclohexyl)-3-(2-methylpropyl)piperazine
CID 64924428
1-(1-methylpiperidin-3-yl)-3-(2-methylpropyl)-1,4-diazepane
CID 64944792
1-hexan-3-yl-3-(2-methylpropyl)-1,4-diazepane
CID 64950940
1-(3-methylpentan-2-yl)-3-(2-methylpropyl)-1,4-diazepane
CID 64943811
(2S)-2-(2-methylpropyl)pyrrolidine;molecular hydrogen
CID 142042486

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-methylpropyl)-1-[(Z)-2-piperidin-2-ylethenyl]piperazine?
The IUPAC name of (3S)-3-(2-methylpropyl)-1-[(Z)-2-piperidin-2-ylethenyl]piperazine (CID 141079354) is (3S)-3-(2-methylpropyl)-1-[(Z)-2-piperidin-2-ylethenyl]piperazine.
What is the SMILES notation for (3S)-3-(2-methylpropyl)-1-[(Z)-2-piperidin-2-ylethenyl]piperazine?
The canonical SMILES for (3S)-3-(2-methylpropyl)-1-[(Z)-2-piperidin-2-ylethenyl]piperazine is CC(C)C[C@H]1CN(/C=C\C2CCCCN2)CCN1.
What is the InChIKey of (3S)-3-(2-methylpropyl)-1-[(Z)-2-piperidin-2-ylethenyl]piperazine?
The InChIKey is QXVNERLDJWSHDU-WWHUVMKASA-N. The full InChI is InChI=1S/C15H29N3/c1-13(2)11-15-12-18(10-8-17-15)9-6-14-5-3-4-7-16-14/h6,9,13-17H,3-5,7-8,10-12H2,1-2H3/b9-6-/t14?,15-/m0/s1.
What are the key properties of (3S)-3-(2-methylpropyl)-1-[(Z)-2-piperidin-2-ylethenyl]piperazine?
(3S)-3-(2-methylpropyl)-1-[(Z)-2-piperidin-2-ylethenyl]piperazine has a molecular weight of 251.42 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-methylpropyl)-1-[(Z)-2-piperidin-2-ylethenyl]piperazine is sourced from PubChem (CID 141079354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).