[2-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenyl]methanamine

C17H29N3 — CID 81322429

IUPAC[2-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenyl]methanamine
SMILESCC(C)CN1CCN(CCc2ccccc2CN)CC1
InChIInChI=1S/C17H29N3/c1-15(2)14-20-11-9-19(10-12-20)8-7-16-5-3-4-6-17(16)13-18/h3-6,15H,7-14,18H2,1-2H3
InChIKeyUVRBCGIINQXWKI-UHFFFAOYSA-N
MW275.44 g/mol
LogP1.96
Rot. Bonds6

About [2-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenyl]methanamine

[2-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenyl]methanamine (PubChem CID 81322429) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is [2-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenyl]methanamine
PubChem CID81322429
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name[2-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenyl]methanamine
SMILESCC(C)CN1CCN(CCc2ccccc2CN)CC1
InChIInChI=1S/C17H29N3/c1-15(2)14-20-11-9-19(10-12-20)8-7-16-5-3-4-6-17(16)13-18/h3-6,15H,7-14,18H2,1-2H3
InChIKeyUVRBCGIINQXWKI-UHFFFAOYSA-N
XLogP1.96
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine
CID 4742453
1-[4-(2-methylpropyl)piperazin-1-yl]-4-phenylbutan-2-amine
CID 114929701
[2-[2-(3-ethylpyrrolidin-1-yl)ethyl]phenyl]methanamine
CID 113417886
[2-[2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]phenyl]methanamine
CID 81322590
[2-[2-(2-ethylmorpholin-4-yl)ethyl]phenyl]methanamine
CID 81321825
[2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]phenyl]methanamine
CID 115560349
1-(2-methylpropyl)-4-(2-phenylsulfanylethyl)piperazine
CID 112731206
[2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]phenyl]methanamine
CID 81322728
[2,3-difluoro-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]methanamine
CID 107932907
1-(2-methylphenyl)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine
CID 62775535
4-[3-[4-(2-methylpropyl)piperazin-1-yl]propyl]aniline
CID 115342057
[2-[2-(3-propoxypiperidin-1-yl)ethyl]phenyl]methanamine
CID 81322503

Frequently Asked Questions

What is the IUPAC name of [2-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenyl]methanamine?
The IUPAC name of [2-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenyl]methanamine (CID 81322429) is [2-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenyl]methanamine.
What is the SMILES notation for [2-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenyl]methanamine?
The canonical SMILES for [2-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenyl]methanamine is CC(C)CN1CCN(CCc2ccccc2CN)CC1.
What is the InChIKey of [2-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenyl]methanamine?
The InChIKey is UVRBCGIINQXWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-15(2)14-20-11-9-19(10-12-20)8-7-16-5-3-4-6-17(16)13-18/h3-6,15H,7-14,18H2,1-2H3.
What are the key properties of [2-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenyl]methanamine?
[2-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenyl]methanamine has a molecular weight of 275.44 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenyl]methanamine is sourced from PubChem (CID 81322429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).