[4-[(4-butan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine

C16H27N3 — CID 62772849

IUPAC[4-[(4-butan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine
SMILESCCC(C)N1CCN(Cc2ccc(CN)cc2)CC1
InChIInChI=1S/C16H27N3/c1-3-14(2)19-10-8-18(9-11-19)13-16-6-4-15(12-17)5-7-16/h4-7,14H,3,8-13,17H2,1-2H3
InChIKeyOHMHGBGELJPVHO-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.06
Rot. Bonds5

About [4-[(4-butan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine

[4-[(4-butan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine (PubChem CID 62772849) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is [4-[(4-butan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[(4-butan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine
PubChem CID62772849
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name[4-[(4-butan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine
SMILESCCC(C)N1CCN(Cc2ccc(CN)cc2)CC1
InChIInChI=1S/C16H27N3/c1-3-14(2)19-10-8-18(9-11-19)13-16-6-4-15(12-17)5-7-16/h4-7,14H,3,8-13,17H2,1-2H3
InChIKeyOHMHGBGELJPVHO-UHFFFAOYSA-N
XLogP2.06
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[(4-butan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine 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-butan-2-yl-4-[(4-chlorophenyl)methyl]piperazine
CID 2878740
1-benzyl-4-[(2R)-butan-2-yl]piperazine
CID 2248321
[4-[2-(4-butan-2-ylpiperazin-1-yl)ethoxy]phenyl]methanamine
CID 62775375
5-[(4-butan-2-ylpiperazin-1-yl)methyl]-2-methoxyaniline
CID 62774197
ethane;[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]methanamine;molecular hydrogen
CID 156794443
1-[(3-bromo-4-fluorophenyl)methyl]-4-butan-2-ylpiperazine
CID 62772303
[2-[(4-butan-2-ylpiperazin-1-yl)methyl]furan-3-yl]methanamine
CID 62774641
1-[(2S)-butan-2-yl]-4-(pyridin-3-ylmethyl)piperazine
CID 786336
3-[(4-butan-2-ylpiperazin-1-yl)methyl]-4-chloroaniline
CID 62774579
[4-(4-butan-2-ylpiperazin-1-yl)-3-fluorophenyl]methanamine
CID 62773221
1-(1-benzylpiperidin-4-yl)-4-[(2R)-butan-2-yl]piperazine
CID 796148
4-[(4-butan-2-ylpiperazin-1-yl)methyl]-3-chloroaniline
CID 55117451

Frequently Asked Questions

What is the IUPAC name of [4-[(4-butan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine?
The IUPAC name of [4-[(4-butan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine (CID 62772849) is [4-[(4-butan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [4-[(4-butan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine?
The canonical SMILES for [4-[(4-butan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine is CCC(C)N1CCN(Cc2ccc(CN)cc2)CC1.
What is the InChIKey of [4-[(4-butan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine?
The InChIKey is OHMHGBGELJPVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-3-14(2)19-10-8-18(9-11-19)13-16-6-4-15(12-17)5-7-16/h4-7,14H,3,8-13,17H2,1-2H3.
What are the key properties of [4-[(4-butan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine?
[4-[(4-butan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine has a molecular weight of 261.41 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-butan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 62772849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).