[4-methyl-1-(3-phenylpropyl)piperazin-2-yl]methanamine

C15H25N3 — CID 80504597

IUPAC[4-methyl-1-(3-phenylpropyl)piperazin-2-yl]methanamine
SMILESCN1CCN(CCCc2ccccc2)C(CN)C1
InChIInChI=1S/C15H25N3/c1-17-10-11-18(15(12-16)13-17)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-13,16H2,1H3
InChIKeyIZAGVLAZSLKIMO-UHFFFAOYSA-N
MW247.39 g/mol
LogP1.19
Rot. Bonds5

About [4-methyl-1-(3-phenylpropyl)piperazin-2-yl]methanamine

[4-methyl-1-(3-phenylpropyl)piperazin-2-yl]methanamine (PubChem CID 80504597) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is [4-methyl-1-(3-phenylpropyl)piperazin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-(3-phenylpropyl)piperazin-2-yl]methanamine
PubChem CID80504597
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name[4-methyl-1-(3-phenylpropyl)piperazin-2-yl]methanamine
SMILESCN1CCN(CCCc2ccccc2)C(CN)C1
InChIInChI=1S/C15H25N3/c1-17-10-11-18(15(12-16)13-17)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-13,16H2,1H3
InChIKeyIZAGVLAZSLKIMO-UHFFFAOYSA-N
XLogP1.19
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-methyl-1-(3-phenylpropyl)pyrrolidin-3-yl]methanamine
CID 113319943
(4-methyl-1-pentylpiperazin-2-yl)methanamine
CID 80504437
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-benzylacetamide
CID 80507204
2-[[2-(aminomethyl)-4-methylpiperazin-1-yl]methyl]phenol
CID 80505653
6-methyl-1-(3-phenylpropyl)piperidin-3-amine
CID 61238461
4-[[2-(aminomethyl)-4-methylpiperazin-1-yl]methyl]phenol
CID 80505171
[4-methyl-1-(2-methylbutyl)piperazin-2-yl]methanamine
CID 80504638
3-[[2-(aminomethyl)-4-methylpiperazin-1-yl]methyl]benzonitrile
CID 80505133
(1-hept-6-enyl-4-methylpiperazin-2-yl)methanamine
CID 107008055
[4-methyl-1-[(2-methylquinolin-4-yl)methyl]piperazin-2-yl]methanamine
CID 80503449
[4-methyl-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-2-yl]methanamine
CID 80505307
2-[(2S)-1-(3-methylbutyl)-4-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 29208638

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(3-phenylpropyl)piperazin-2-yl]methanamine?
The IUPAC name of [4-methyl-1-(3-phenylpropyl)piperazin-2-yl]methanamine (CID 80504597) is [4-methyl-1-(3-phenylpropyl)piperazin-2-yl]methanamine.
What is the SMILES notation for [4-methyl-1-(3-phenylpropyl)piperazin-2-yl]methanamine?
The canonical SMILES for [4-methyl-1-(3-phenylpropyl)piperazin-2-yl]methanamine is CN1CCN(CCCc2ccccc2)C(CN)C1.
What is the InChIKey of [4-methyl-1-(3-phenylpropyl)piperazin-2-yl]methanamine?
The InChIKey is IZAGVLAZSLKIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-17-10-11-18(15(12-16)13-17)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-13,16H2,1H3.
What are the key properties of [4-methyl-1-(3-phenylpropyl)piperazin-2-yl]methanamine?
[4-methyl-1-(3-phenylpropyl)piperazin-2-yl]methanamine has a molecular weight of 247.39 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(3-phenylpropyl)piperazin-2-yl]methanamine is sourced from PubChem (CID 80504597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).