1-butan-2-yl-4-[(2-methylpiperidin-2-yl)methyl]piperazine

C15H31N3 — CID 104595017

IUPAC1-butan-2-yl-4-[(2-methylpiperidin-2-yl)methyl]piperazine
SMILESCCC(C)N1CCN(CC2(C)CCCCN2)CC1
InChIInChI=1S/C15H31N3/c1-4-14(2)18-11-9-17(10-12-18)13-15(3)7-5-6-8-16-15/h14,16H,4-13H2,1-3H3
InChIKeyUHGOMMXCAHSLQM-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.93
Rot. Bonds4

About 1-butan-2-yl-4-[(2-methylpiperidin-2-yl)methyl]piperazine

1-butan-2-yl-4-[(2-methylpiperidin-2-yl)methyl]piperazine (PubChem CID 104595017) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-butan-2-yl-4-[(2-methylpiperidin-2-yl)methyl]piperazine.

Molecular Properties

Compound Name1-butan-2-yl-4-[(2-methylpiperidin-2-yl)methyl]piperazine
PubChem CID104595017
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name1-butan-2-yl-4-[(2-methylpiperidin-2-yl)methyl]piperazine
SMILESCCC(C)N1CCN(CC2(C)CCCCN2)CC1
InChIInChI=1S/C15H31N3/c1-4-14(2)18-11-9-17(10-12-18)13-15(3)7-5-6-8-16-15/h14,16H,4-13H2,1-3H3
InChIKeyUHGOMMXCAHSLQM-UHFFFAOYSA-N
XLogP1.93
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-butan-2-yl-4-[(2-methylpiperidin-2-yl)methyl]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

8-[(2-methylpiperidin-2-yl)methyl]-8-azaspiro[4.5]decane
CID 113430623
1-methyl-4-[(2-methylpiperidin-2-yl)methyl]-1,4-diazepane
CID 104594729
1-[(4-butan-2-ylpiperazin-1-yl)methyl]cyclohexan-1-ol
CID 65208031
4-[(2-methylpiperidin-2-yl)methyl]morpholine
CID 104594654
N,N-dimethyl-1-[(2-methylpiperidin-2-yl)methyl]piperidin-4-amine
CID 104594786
4-[(2-methylpiperidin-2-yl)methyl]-1,4-oxazepane
CID 104595033
2-[(3,3-diethylpyrrolidin-1-yl)methyl]-2-methylpiperidine
CID 104595182
2-[(4-ethoxypiperidin-1-yl)methyl]-2-methylpiperidine
CID 113430577
[1-[(4-butan-2-ylpiperazin-1-yl)methyl]cyclopropyl]methanamine
CID 115453832
N-[[1-[(4-butan-2-ylpiperazin-1-yl)methyl]cyclopentyl]methyl]propan-1-amine
CID 62772529
1-[(2-methylpiperidin-2-yl)methyl]-3,6-dihydro-2H-pyridine
CID 114410563
(4-butan-2-ylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 63142306

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-[(2-methylpiperidin-2-yl)methyl]piperazine?
The IUPAC name of 1-butan-2-yl-4-[(2-methylpiperidin-2-yl)methyl]piperazine (CID 104595017) is 1-butan-2-yl-4-[(2-methylpiperidin-2-yl)methyl]piperazine.
What is the SMILES notation for 1-butan-2-yl-4-[(2-methylpiperidin-2-yl)methyl]piperazine?
The canonical SMILES for 1-butan-2-yl-4-[(2-methylpiperidin-2-yl)methyl]piperazine is CCC(C)N1CCN(CC2(C)CCCCN2)CC1.
What is the InChIKey of 1-butan-2-yl-4-[(2-methylpiperidin-2-yl)methyl]piperazine?
The InChIKey is UHGOMMXCAHSLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-4-14(2)18-11-9-17(10-12-18)13-15(3)7-5-6-8-16-15/h14,16H,4-13H2,1-3H3.
What are the key properties of 1-butan-2-yl-4-[(2-methylpiperidin-2-yl)methyl]piperazine?
1-butan-2-yl-4-[(2-methylpiperidin-2-yl)methyl]piperazine has a molecular weight of 253.43 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-[(2-methylpiperidin-2-yl)methyl]piperazine is sourced from PubChem (CID 104595017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).