1-[2-[1-(2-butan-2-ylpent-2-enyl)piperidin-4-yl]ethyl]-4-methylpiperazine

C21H41N3 — CID 139498185

IUPAC1-[2-[1-(2-butan-2-ylpent-2-enyl)piperidin-4-yl]ethyl]-4-methylpiperazine
SMILESCCC=C(CN1CCC(CCN2CCN(C)CC2)CC1)C(C)CC
InChIInChI=1S/C21H41N3/c1-5-7-21(19(3)6-2)18-24-12-9-20(10-13-24)8-11-23-16-14-22(4)15-17-23/h7,19-20H,5-6,8-18H2,1-4H3
InChIKeyNYDVSSIZXPCTLO-UHFFFAOYSA-N
MW335.58 g/mol
LogP3.72
Rot. Bonds8

About 1-[2-[1-(2-butan-2-ylpent-2-enyl)piperidin-4-yl]ethyl]-4-methylpiperazine

1-[2-[1-(2-butan-2-ylpent-2-enyl)piperidin-4-yl]ethyl]-4-methylpiperazine (PubChem CID 139498185) has the molecular formula C21H41N3 and a molecular weight of 335.58 g/mol. Its IUPAC name is 1-[2-[1-(2-butan-2-ylpent-2-enyl)piperidin-4-yl]ethyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[2-[1-(2-butan-2-ylpent-2-enyl)piperidin-4-yl]ethyl]-4-methylpiperazine
PubChem CID139498185
Molecular FormulaC21H41N3
Molecular Weight335.58 g/mol
Exact Mass335.33
IUPAC Name1-[2-[1-(2-butan-2-ylpent-2-enyl)piperidin-4-yl]ethyl]-4-methylpiperazine
SMILESCCC=C(CN1CCC(CCN2CCN(C)CC2)CC1)C(C)CC
InChIInChI=1S/C21H41N3/c1-5-7-21(19(3)6-2)18-24-12-9-20(10-13-24)8-11-23-16-14-22(4)15-17-23/h7,19-20H,5-6,8-18H2,1-4H3
InChIKeyNYDVSSIZXPCTLO-UHFFFAOYSA-N
XLogP3.72
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.58
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[2-[1-(2-butan-2-ylpent-2-enyl)piperidin-4-yl]ethyl]-4-methylpiperazine 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-methyl-4-[2-(1-methylpiperidin-4-yl)ethyl]piperazine
CID 21129707
4-ethyl-1-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidine
CID 158397131
1-(2-cyclobutylethyl)-4-propan-2-ylpiperidine
CID 176983543
1,4-diethylpiperidine;1-ethyl-4-methylpiperazine
CID 143157970
1-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperazine
CID 155184379
1-[2-[1-(3-methylbutyl)piperidin-4-yl]ethyl]-4-(2-methylpropyl)piperazine
CID 167538514
1-(2-cyclopropylethyl)-4-ethylpiperazine
CID 171795940
2-methyl-N-[3-(4-propylpiperidin-1-yl)propyl]butanamide
CID 129181028
ethane;1-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperazine
CID 155702616
3-methyl-1-[4-[[4-(3-methyl-2-oxobutyl)piperazin-1-yl]methyl]piperidin-1-yl]pentan-2-one
CID 176575579
1-methyl-4-[5-(4-propan-2-ylpiperidin-1-yl)pentyl]piperazine
CID 163269266
1-ethyl-4-[2-(1-methylpyrrolidin-3-yl)ethyl]piperazine
CID 156559020

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(2-butan-2-ylpent-2-enyl)piperidin-4-yl]ethyl]-4-methylpiperazine?
The IUPAC name of 1-[2-[1-(2-butan-2-ylpent-2-enyl)piperidin-4-yl]ethyl]-4-methylpiperazine (CID 139498185) is 1-[2-[1-(2-butan-2-ylpent-2-enyl)piperidin-4-yl]ethyl]-4-methylpiperazine.
What is the SMILES notation for 1-[2-[1-(2-butan-2-ylpent-2-enyl)piperidin-4-yl]ethyl]-4-methylpiperazine?
The canonical SMILES for 1-[2-[1-(2-butan-2-ylpent-2-enyl)piperidin-4-yl]ethyl]-4-methylpiperazine is CCC=C(CN1CCC(CCN2CCN(C)CC2)CC1)C(C)CC.
What is the InChIKey of 1-[2-[1-(2-butan-2-ylpent-2-enyl)piperidin-4-yl]ethyl]-4-methylpiperazine?
The InChIKey is NYDVSSIZXPCTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41N3/c1-5-7-21(19(3)6-2)18-24-12-9-20(10-13-24)8-11-23-16-14-22(4)15-17-23/h7,19-20H,5-6,8-18H2,1-4H3.
What are the key properties of 1-[2-[1-(2-butan-2-ylpent-2-enyl)piperidin-4-yl]ethyl]-4-methylpiperazine?
1-[2-[1-(2-butan-2-ylpent-2-enyl)piperidin-4-yl]ethyl]-4-methylpiperazine has a molecular weight of 335.58 g/mol, XLogP of 3.72, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(2-butan-2-ylpent-2-enyl)piperidin-4-yl]ethyl]-4-methylpiperazine is sourced from PubChem (CID 139498185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).