1-[1-[[(1S)-3-methylcyclopentyl]methyl]piperidin-4-yl]-4-(2-methylprop-2-enyl)piperazine

C20H37N3 — CID 170002134

IUPAC1-[1-[[(1S)-3-methylcyclopentyl]methyl]piperidin-4-yl]-4-(2-methylprop-2-enyl)piperazine
SMILESC=C(C)CN1CCN(C2CCN(C[C@H]3CCC(C)C3)CC2)CC1
InChIInChI=1S/C20H37N3/c1-17(2)15-22-10-12-23(13-11-22)20-6-8-21(9-7-20)16-19-5-4-18(3)14-19/h18-20H,1,4-16H2,2-3H3/t18?,19-/m0/s1
InChIKeyIMAMYCBBNYQCOG-GGYWPGCISA-N
MW319.54 g/mol
LogP3.08
Rot. Bonds5

About 1-[1-[[(1S)-3-methylcyclopentyl]methyl]piperidin-4-yl]-4-(2-methylprop-2-enyl)piperazine

1-[1-[[(1S)-3-methylcyclopentyl]methyl]piperidin-4-yl]-4-(2-methylprop-2-enyl)piperazine (PubChem CID 170002134) has the molecular formula C20H37N3 and a molecular weight of 319.54 g/mol. Its IUPAC name is 1-[1-[[(1S)-3-methylcyclopentyl]methyl]piperidin-4-yl]-4-(2-methylprop-2-enyl)piperazine.

Molecular Properties

Compound Name1-[1-[[(1S)-3-methylcyclopentyl]methyl]piperidin-4-yl]-4-(2-methylprop-2-enyl)piperazine
PubChem CID170002134
Molecular FormulaC20H37N3
Molecular Weight319.54 g/mol
Exact Mass319.30
IUPAC Name1-[1-[[(1S)-3-methylcyclopentyl]methyl]piperidin-4-yl]-4-(2-methylprop-2-enyl)piperazine
SMILESC=C(C)CN1CCN(C2CCN(C[C@H]3CCC(C)C3)CC2)CC1
InChIInChI=1S/C20H37N3/c1-17(2)15-22-10-12-23(13-11-22)20-6-8-21(9-7-20)16-19-5-4-18(3)14-19/h18-20H,1,4-16H2,2-3H3/t18?,19-/m0/s1
InChIKeyIMAMYCBBNYQCOG-GGYWPGCISA-N
XLogP3.08
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.54
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[1-[[(1S)-3-methylcyclopentyl]methyl]piperidin-4-yl]-4-(2-methylprop-2-enyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[(1S)-3-methylcyclopentyl]methyl]piperidin-4-yl]-4-(2-methylprop-2-enyl)piperazine?
The IUPAC name of 1-[1-[[(1S)-3-methylcyclopentyl]methyl]piperidin-4-yl]-4-(2-methylprop-2-enyl)piperazine (CID 170002134) is 1-[1-[[(1S)-3-methylcyclopentyl]methyl]piperidin-4-yl]-4-(2-methylprop-2-enyl)piperazine.
What is the SMILES notation for 1-[1-[[(1S)-3-methylcyclopentyl]methyl]piperidin-4-yl]-4-(2-methylprop-2-enyl)piperazine?
The canonical SMILES for 1-[1-[[(1S)-3-methylcyclopentyl]methyl]piperidin-4-yl]-4-(2-methylprop-2-enyl)piperazine is C=C(C)CN1CCN(C2CCN(C[C@H]3CCC(C)C3)CC2)CC1.
What is the InChIKey of 1-[1-[[(1S)-3-methylcyclopentyl]methyl]piperidin-4-yl]-4-(2-methylprop-2-enyl)piperazine?
The InChIKey is IMAMYCBBNYQCOG-GGYWPGCISA-N. The full InChI is InChI=1S/C20H37N3/c1-17(2)15-22-10-12-23(13-11-22)20-6-8-21(9-7-20)16-19-5-4-18(3)14-19/h18-20H,1,4-16H2,2-3H3/t18?,19-/m0/s1.
What are the key properties of 1-[1-[[(1S)-3-methylcyclopentyl]methyl]piperidin-4-yl]-4-(2-methylprop-2-enyl)piperazine?
1-[1-[[(1S)-3-methylcyclopentyl]methyl]piperidin-4-yl]-4-(2-methylprop-2-enyl)piperazine has a molecular weight of 319.54 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[(1S)-3-methylcyclopentyl]methyl]piperidin-4-yl]-4-(2-methylprop-2-enyl)piperazine is sourced from PubChem (CID 170002134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).