2-methyl-2-(4-phenylpiperazin-1-yl)heptan-1-amine

C18H31N3 — CID 78915727

IUPAC2-methyl-2-(4-phenylpiperazin-1-yl)heptan-1-amine
SMILESCCCCCC(C)(CN)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H31N3/c1-3-4-8-11-18(2,16-19)21-14-12-20(13-15-21)17-9-6-5-7-10-17/h5-7,9-10H,3-4,8,11-16,19H2,1-2H3
InChIKeyUFRSILWXPLHBOR-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.11
Rot. Bonds7

About 2-methyl-2-(4-phenylpiperazin-1-yl)heptan-1-amine

2-methyl-2-(4-phenylpiperazin-1-yl)heptan-1-amine (PubChem CID 78915727) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 2-methyl-2-(4-phenylpiperazin-1-yl)heptan-1-amine.

Molecular Properties

Compound Name2-methyl-2-(4-phenylpiperazin-1-yl)heptan-1-amine
PubChem CID78915727
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name2-methyl-2-(4-phenylpiperazin-1-yl)heptan-1-amine
SMILESCCCCCC(C)(CN)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H31N3/c1-3-4-8-11-18(2,16-19)21-14-12-20(13-15-21)17-9-6-5-7-10-17/h5-7,9-10H,3-4,8,11-16,19H2,1-2H3
InChIKeyUFRSILWXPLHBOR-UHFFFAOYSA-N
XLogP3.11
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)heptan-1-amine
CID 80556440
2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylpentan-1-amine
CID 43187198
2-ethyl-2-(4-phenylpiperazin-1-yl)butan-1-amine
CID 24693500
2-methyl-2-(4-phenylpiperazin-1-yl)-3-(1H-pyrrol-2-yl)propan-1-amine
CID 84752058
2-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]octan-1-amine
CID 43130147
2-(4,4-dimethylpiperidin-1-yl)-2-methylheptan-1-amine
CID 80557474
2-methyl-2-(4-propylpiperidin-1-yl)heptan-1-amine
CID 80557657
2-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylbutan-1-amine
CID 24693453
2-(4-tert-butylpiperidin-1-yl)-2-methylnonan-1-amine
CID 63465793
2-methyl-2-(4-propan-2-ylpiperidin-1-yl)nonan-1-amine
CID 103494824
2-(8-azaspiro[4.5]decan-8-yl)-2-methylheptan-1-amine
CID 80557366
2-(4-ethyl-4-methylpiperidin-1-yl)-2-methyloctan-1-amine
CID 63465976

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-phenylpiperazin-1-yl)heptan-1-amine?
The IUPAC name of 2-methyl-2-(4-phenylpiperazin-1-yl)heptan-1-amine (CID 78915727) is 2-methyl-2-(4-phenylpiperazin-1-yl)heptan-1-amine.
What is the SMILES notation for 2-methyl-2-(4-phenylpiperazin-1-yl)heptan-1-amine?
The canonical SMILES for 2-methyl-2-(4-phenylpiperazin-1-yl)heptan-1-amine is CCCCCC(C)(CN)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-methyl-2-(4-phenylpiperazin-1-yl)heptan-1-amine?
The InChIKey is UFRSILWXPLHBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-3-4-8-11-18(2,16-19)21-14-12-20(13-15-21)17-9-6-5-7-10-17/h5-7,9-10H,3-4,8,11-16,19H2,1-2H3.
What are the key properties of 2-methyl-2-(4-phenylpiperazin-1-yl)heptan-1-amine?
2-methyl-2-(4-phenylpiperazin-1-yl)heptan-1-amine has a molecular weight of 289.47 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-phenylpiperazin-1-yl)heptan-1-amine is sourced from PubChem (CID 78915727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).