1-[1-Benzyl-3-(2-methylpropyl)piperidin-3-yl]-4-methylpiperazine

C21H35N3 — CID 59639474

IUPAC1-[1-benzyl-3-(2-methylpropyl)piperidin-3-yl]-4-methylpiperazine
SMILESCC(C)CC1(CCCN(C1)CC2=CC=CC=C2)N3CCN(CC3)C
InChIInChI=1S/C21H35N3/c1-19(2)16-21(24-14-12-22(3)13-15-24)10-7-11-23(18-21)17-20-8-5-4-6-9-20/h4-6,8-9,19H,7,10-18H2,1-3H3
InChIKeyQAGBPFPDUSGYLI-UHFFFAOYSA-N
MW329.50 g/mol
LogP3.70
Rot. Bonds5

About 1-[1-Benzyl-3-(2-methylpropyl)piperidin-3-yl]-4-methylpiperazine

1-[1-Benzyl-3-(2-methylpropyl)piperidin-3-yl]-4-methylpiperazine (PubChem CID 59639474) has the molecular formula C21H35N3 and a molecular weight of 329.50 g/mol. Its IUPAC name is 1-[1-benzyl-3-(2-methylpropyl)piperidin-3-yl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[1-Benzyl-3-(2-methylpropyl)piperidin-3-yl]-4-methylpiperazine
PubChem CID59639474
Molecular FormulaC21H35N3
Molecular Weight329.50 g/mol
Exact Mass329.28
IUPAC Name1-[1-benzyl-3-(2-methylpropyl)piperidin-3-yl]-4-methylpiperazine
SMILESCC(C)CC1(CCCN(C1)CC2=CC=CC=C2)N3CCN(CC3)C
InChIInChI=1S/C21H35N3/c1-19(2)16-21(24-14-12-22(3)13-15-24)10-7-11-23(18-21)17-20-8-5-4-6-9-20/h4-6,8-9,19H,7,10-18H2,1-3H3
InChIKeyQAGBPFPDUSGYLI-UHFFFAOYSA-N
XLogP3.70
TPSA9.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity369

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.50
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-Benzyl-3-(2-methylpropyl)piperidin-3-yl]-4-methylpiperazine?
The IUPAC name of 1-[1-Benzyl-3-(2-methylpropyl)piperidin-3-yl]-4-methylpiperazine (CID 59639474) is 1-[1-benzyl-3-(2-methylpropyl)piperidin-3-yl]-4-methylpiperazine.
What is the SMILES notation for 1-[1-Benzyl-3-(2-methylpropyl)piperidin-3-yl]-4-methylpiperazine?
The canonical SMILES for 1-[1-Benzyl-3-(2-methylpropyl)piperidin-3-yl]-4-methylpiperazine is CC(C)CC1(CCCN(C1)CC2=CC=CC=C2)N3CCN(CC3)C.
What is the InChIKey of 1-[1-Benzyl-3-(2-methylpropyl)piperidin-3-yl]-4-methylpiperazine?
The InChIKey is QAGBPFPDUSGYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3/c1-19(2)16-21(24-14-12-22(3)13-15-24)10-7-11-23(18-21)17-20-8-5-4-6-9-20/h4-6,8-9,19H,7,10-18H2,1-3H3.
What are the key properties of 1-[1-Benzyl-3-(2-methylpropyl)piperidin-3-yl]-4-methylpiperazine?
1-[1-Benzyl-3-(2-methylpropyl)piperidin-3-yl]-4-methylpiperazine has a molecular weight of 329.50 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-Benzyl-3-(2-methylpropyl)piperidin-3-yl]-4-methylpiperazine is sourced from PubChem (CID 59639474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).