1-[4-(2-methylpropyl)piperazin-1-yl]-4-phenylbutan-2-amine

C18H31N3 — CID 114929701

IUPAC1-[4-(2-methylpropyl)piperazin-1-yl]-4-phenylbutan-2-amine
SMILESCC(C)CN1CCN(CC(N)CCc2ccccc2)CC1
InChIInChI=1S/C18H31N3/c1-16(2)14-20-10-12-21(13-11-20)15-18(19)9-8-17-6-4-3-5-7-17/h3-7,16,18H,8-15,19H2,1-2H3
InChIKeyIEDFHBBDEDQNPS-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.22
Rot. Bonds7

About 1-[4-(2-methylpropyl)piperazin-1-yl]-4-phenylbutan-2-amine

1-[4-(2-methylpropyl)piperazin-1-yl]-4-phenylbutan-2-amine (PubChem CID 114929701) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 1-[4-(2-methylpropyl)piperazin-1-yl]-4-phenylbutan-2-amine.

Molecular Properties

Compound Name1-[4-(2-methylpropyl)piperazin-1-yl]-4-phenylbutan-2-amine
PubChem CID114929701
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name1-[4-(2-methylpropyl)piperazin-1-yl]-4-phenylbutan-2-amine
SMILESCC(C)CN1CCN(CC(N)CCc2ccccc2)CC1
InChIInChI=1S/C18H31N3/c1-16(2)14-20-10-12-21(13-11-20)15-18(19)9-8-17-6-4-3-5-7-17/h3-7,16,18H,8-15,19H2,1-2H3
InChIKeyIEDFHBBDEDQNPS-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenyl-1-pyrrolidin-1-ylbutan-2-amine
CID 114929475
1-(azocan-1-yl)-4-phenylbutan-2-amine
CID 114929504
1-(4-methylpiperidin-1-yl)-4-phenylbutan-2-amine
CID 114929474
4-phenyl-1-(3-propan-2-ylpyrrolidin-1-yl)butan-2-amine
CID 114929839
4-phenyl-1-(4-propylpiperidin-1-yl)butan-2-amine
CID 114929692
1-(3-methylpiperidin-1-yl)-4-phenylbutan-2-amine
CID 114929481
1-(4-ethylazepan-1-yl)-4-phenylbutan-2-amine
CID 114929756
(2R)-2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 78984555
(2S)-4-phenylbutan-2-amine
CID 6994564
(2S)-2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119831562
[2-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenyl]methanamine
CID 81322429
(3R)-1-phenylhexan-3-amine
CID 66612996

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpropyl)piperazin-1-yl]-4-phenylbutan-2-amine?
The IUPAC name of 1-[4-(2-methylpropyl)piperazin-1-yl]-4-phenylbutan-2-amine (CID 114929701) is 1-[4-(2-methylpropyl)piperazin-1-yl]-4-phenylbutan-2-amine.
What is the SMILES notation for 1-[4-(2-methylpropyl)piperazin-1-yl]-4-phenylbutan-2-amine?
The canonical SMILES for 1-[4-(2-methylpropyl)piperazin-1-yl]-4-phenylbutan-2-amine is CC(C)CN1CCN(CC(N)CCc2ccccc2)CC1.
What is the InChIKey of 1-[4-(2-methylpropyl)piperazin-1-yl]-4-phenylbutan-2-amine?
The InChIKey is IEDFHBBDEDQNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-16(2)14-20-10-12-21(13-11-20)15-18(19)9-8-17-6-4-3-5-7-17/h3-7,16,18H,8-15,19H2,1-2H3.
What are the key properties of 1-[4-(2-methylpropyl)piperazin-1-yl]-4-phenylbutan-2-amine?
1-[4-(2-methylpropyl)piperazin-1-yl]-4-phenylbutan-2-amine has a molecular weight of 289.47 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpropyl)piperazin-1-yl]-4-phenylbutan-2-amine is sourced from PubChem (CID 114929701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).