1-[(4-methylphenyl)methyl]-4-pentan-3-ylpiperazine

C17H28N2 — CID 23935430

IUPAC1-[(4-methylphenyl)methyl]-4-pentan-3-ylpiperazine
SMILESCCC(CC)N1CCN(Cc2ccc(C)cc2)CC1
InChIInChI=1S/C17H28N2/c1-4-17(5-2)19-12-10-18(11-13-19)14-16-8-6-15(3)7-9-16/h6-9,17H,4-5,10-14H2,1-3H3
InChIKeyNPMBAVNAKHTJBS-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.30
Rot. Bonds5

About 1-[(4-methylphenyl)methyl]-4-pentan-3-ylpiperazine

1-[(4-methylphenyl)methyl]-4-pentan-3-ylpiperazine (PubChem CID 23935430) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-4-pentan-3-ylpiperazine.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-4-pentan-3-ylpiperazine
PubChem CID23935430
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-[(4-methylphenyl)methyl]-4-pentan-3-ylpiperazine
SMILESCCC(CC)N1CCN(Cc2ccc(C)cc2)CC1
InChIInChI=1S/C17H28N2/c1-4-17(5-2)19-12-10-18(11-13-19)14-16-8-6-15(3)7-9-16/h6-9,17H,4-5,10-14H2,1-3H3
InChIKeyNPMBAVNAKHTJBS-UHFFFAOYSA-N
XLogP3.30
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(4-methylphenyl)methyl]-4-pentan-3-ylpiperazine 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-[(4-methylphenyl)methyl]azepane
CID 3951815
4-[[4-(1-hydroxybutan-2-yl)piperazin-1-yl]methyl]benzonitrile
CID 71988686
ethane;1-[(4-methylphenyl)methyl]piperidine
CID 143603243
1,7-bis[(3,5-difluorophenyl)methyl]-4,10-bis[(4-methylphenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 139159419
2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanol
CID 780027
4-[(4-methylphenyl)methyl]piperazine-1-sulfinic acid
CID 123223011
1-butan-2-yl-4-[(4-chlorophenyl)methyl]piperazine
CID 2878740
[4-[(4-methylphenyl)methyl]piperazin-1-yl] hypoiodite
CID 131966181
4-ethyl-1-[(4-methylphenyl)methyl]piperidine
CID 144879966
2-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]butan-1-amine
CID 63340344
[4-[(4-butan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine
CID 62772849
[4-[[4-(1-hydroxybutan-2-yl)piperazin-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 111489787

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-4-pentan-3-ylpiperazine?
The IUPAC name of 1-[(4-methylphenyl)methyl]-4-pentan-3-ylpiperazine (CID 23935430) is 1-[(4-methylphenyl)methyl]-4-pentan-3-ylpiperazine.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-4-pentan-3-ylpiperazine?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-4-pentan-3-ylpiperazine is CCC(CC)N1CCN(Cc2ccc(C)cc2)CC1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-4-pentan-3-ylpiperazine?
The InChIKey is NPMBAVNAKHTJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-17(5-2)19-12-10-18(11-13-19)14-16-8-6-15(3)7-9-16/h6-9,17H,4-5,10-14H2,1-3H3.
What are the key properties of 1-[(4-methylphenyl)methyl]-4-pentan-3-ylpiperazine?
1-[(4-methylphenyl)methyl]-4-pentan-3-ylpiperazine has a molecular weight of 260.43 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-4-pentan-3-ylpiperazine is sourced from PubChem (CID 23935430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).