3-(4-phenylpiperazin-1-yl)-N-propan-2-ylbutan-1-amine

C17H29N3 — CID 62425822

IUPAC3-(4-phenylpiperazin-1-yl)-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCCC(C)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H29N3/c1-15(2)18-10-9-16(3)19-11-13-20(14-12-19)17-7-5-4-6-8-17/h4-8,15-16,18H,9-14H2,1-3H3
InChIKeyDWGSSWYLUYRFLL-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.59
Rot. Bonds6

About 3-(4-phenylpiperazin-1-yl)-N-propan-2-ylbutan-1-amine

3-(4-phenylpiperazin-1-yl)-N-propan-2-ylbutan-1-amine (PubChem CID 62425822) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 3-(4-phenylpiperazin-1-yl)-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-(4-phenylpiperazin-1-yl)-N-propan-2-ylbutan-1-amine
PubChem CID62425822
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name3-(4-phenylpiperazin-1-yl)-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCCC(C)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H29N3/c1-15(2)18-10-9-16(3)19-11-13-20(14-12-19)17-7-5-4-6-8-17/h4-8,15-16,18H,9-14H2,1-3H3
InChIKeyDWGSSWYLUYRFLL-UHFFFAOYSA-N
XLogP2.59
TPSA18.51 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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-phenylpiperazin-1-yl)butyl]cyclopropanamine
CID 62425823
3-(4-phenylpiperazin-1-yl)butan-1-amine
CID 60914326
N-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine
CID 62425156
3-(azocan-1-yl)-N-propan-2-ylbutan-1-amine
CID 62418445
3-(3-phenylpyrrolidin-1-yl)-N-propan-2-ylbutan-1-amine
CID 62413169
3-[4-(4-chlorophenyl)piperazin-1-yl]-N-methylbutan-1-amine
CID 62419651
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpropan-1-amine
CID 62425501
2-(4-phenylpiperazin-1-yl)-N-prop-2-enylpropan-1-amine
CID 62558178
1-(4-fluorophenyl)-4-[(2R)-4-phenylbutan-2-yl]piperazine
CID 7047274
N-ethyl-3-[4-(3-methoxyphenyl)piperazin-1-yl]butan-1-amine
CID 62418996
1-(2-hydroxyethyl)-3-[2-(4-phenylpiperazin-1-yl)propyl]urea
CID 110894090
4-[(2R)-2-(4-phenyl-1,4-diazepan-1-yl)propyl]morpholine
CID 129398102

Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylpiperazin-1-yl)-N-propan-2-ylbutan-1-amine?
The IUPAC name of 3-(4-phenylpiperazin-1-yl)-N-propan-2-ylbutan-1-amine (CID 62425822) is 3-(4-phenylpiperazin-1-yl)-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 3-(4-phenylpiperazin-1-yl)-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 3-(4-phenylpiperazin-1-yl)-N-propan-2-ylbutan-1-amine is CC(C)NCCC(C)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 3-(4-phenylpiperazin-1-yl)-N-propan-2-ylbutan-1-amine?
The InChIKey is DWGSSWYLUYRFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-15(2)18-10-9-16(3)19-11-13-20(14-12-19)17-7-5-4-6-8-17/h4-8,15-16,18H,9-14H2,1-3H3.
What are the key properties of 3-(4-phenylpiperazin-1-yl)-N-propan-2-ylbutan-1-amine?
3-(4-phenylpiperazin-1-yl)-N-propan-2-ylbutan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylpiperazin-1-yl)-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 62425822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).