1-[(3-nonylphenyl)methyl]-4-propan-2-ylpiperazine

C23H40N2 — CID 167109777

IUPAC1-[(3-nonylphenyl)methyl]-4-propan-2-ylpiperazine
SMILESCCCCCCCCCc1cccc(CN2CCN(C(C)C)CC2)c1
InChIInChI=1S/C23H40N2/c1-4-5-6-7-8-9-10-12-22-13-11-14-23(19-22)20-24-15-17-25(18-16-24)21(2)3/h11,13-14,19,21H,4-10,12,15-18,20H2,1-3H3
InChIKeyPLDPDDXIXVNZOC-UHFFFAOYSA-N
MW344.59 g/mol
LogP5.51
Rot. Bonds11

About 1-[(3-nonylphenyl)methyl]-4-propan-2-ylpiperazine

1-[(3-nonylphenyl)methyl]-4-propan-2-ylpiperazine (PubChem CID 167109777) has the molecular formula C23H40N2 and a molecular weight of 344.59 g/mol. Its IUPAC name is 1-[(3-nonylphenyl)methyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[(3-nonylphenyl)methyl]-4-propan-2-ylpiperazine
PubChem CID167109777
Molecular FormulaC23H40N2
Molecular Weight344.59 g/mol
Exact Mass344.32
IUPAC Name1-[(3-nonylphenyl)methyl]-4-propan-2-ylpiperazine
SMILESCCCCCCCCCc1cccc(CN2CCN(C(C)C)CC2)c1
InChIInChI=1S/C23H40N2/c1-4-5-6-7-8-9-10-12-22-13-11-14-23(19-22)20-24-15-17-25(18-16-24)21(2)3/h11,13-14,19,21H,4-10,12,15-18,20H2,1-3H3
InChIKeyPLDPDDXIXVNZOC-UHFFFAOYSA-N
XLogP5.51
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.59
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(3-nonylphenyl)methyl]-4-propan-2-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

N-[[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 62433616
N-[[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine
CID 62433615
1,3-di(tetradecyl)benzene
CID 91053224
[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenoxy]boronic acid
CID 142785030
3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline
CID 65349890
1-[(3-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;oxalic acid
CID 17366637
1-benzyl-4-heptylpiperazine
CID 22088087
N-octan-2-yl-3-(pyrrolidin-1-ylmethyl)aniline
CID 43691855
N,N-dimethyl-3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]propan-1-amine
CID 170866061
1-[(3,5-difluorophenyl)methyl]-4-propan-2-ylpiperazine
CID 59242663
1-benzyl-3-pentadecylbenzene
CID 173121378
3-[3-(pyrrolidin-1-ylmethyl)phenyl]propan-1-amine
CID 117311503

Frequently Asked Questions

What is the IUPAC name of 1-[(3-nonylphenyl)methyl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[(3-nonylphenyl)methyl]-4-propan-2-ylpiperazine (CID 167109777) is 1-[(3-nonylphenyl)methyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[(3-nonylphenyl)methyl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[(3-nonylphenyl)methyl]-4-propan-2-ylpiperazine is CCCCCCCCCc1cccc(CN2CCN(C(C)C)CC2)c1.
What is the InChIKey of 1-[(3-nonylphenyl)methyl]-4-propan-2-ylpiperazine?
The InChIKey is PLDPDDXIXVNZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40N2/c1-4-5-6-7-8-9-10-12-22-13-11-14-23(19-22)20-24-15-17-25(18-16-24)21(2)3/h11,13-14,19,21H,4-10,12,15-18,20H2,1-3H3.
What are the key properties of 1-[(3-nonylphenyl)methyl]-4-propan-2-ylpiperazine?
1-[(3-nonylphenyl)methyl]-4-propan-2-ylpiperazine has a molecular weight of 344.59 g/mol, XLogP of 5.51, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-nonylphenyl)methyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 167109777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).