4-[4-(3-propan-2-ylphenyl)piperazin-1-yl]pyridin-3-amine

C18H24N4 — CID 3060369

IUPAC4-[4-(3-propan-2-ylphenyl)piperazin-1-yl]pyridin-3-amine
SMILESCC(C)c1cccc(N2CCN(c3ccncc3N)CC2)c1
InChIInChI=1S/C18H24N4/c1-14(2)15-4-3-5-16(12-15)21-8-10-22(11-9-21)18-6-7-20-13-17(18)19/h3-7,12-14H,8-11,19H2,1-2H3
InChIKeyXEQPXVYWGBUSQX-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.11
Rot. Bonds3

About 4-[4-(3-propan-2-ylphenyl)piperazin-1-yl]pyridin-3-amine

4-[4-(3-propan-2-ylphenyl)piperazin-1-yl]pyridin-3-amine (PubChem CID 3060369) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 4-[4-(3-propan-2-ylphenyl)piperazin-1-yl]pyridin-3-amine.

Molecular Properties

Compound Name4-[4-(3-propan-2-ylphenyl)piperazin-1-yl]pyridin-3-amine
PubChem CID3060369
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name4-[4-(3-propan-2-ylphenyl)piperazin-1-yl]pyridin-3-amine
SMILESCC(C)c1cccc(N2CCN(c3ccncc3N)CC2)c1
InChIInChI=1S/C18H24N4/c1-14(2)15-4-3-5-16(12-15)21-8-10-22(11-9-21)18-6-7-20-13-17(18)19/h3-7,12-14H,8-11,19H2,1-2H3
InChIKeyXEQPXVYWGBUSQX-UHFFFAOYSA-N
XLogP3.11
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 4761
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2-Phenylpyridin-4-amine
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3-(Pyridin-3-yl)aniline
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4-(4-methylphenyl)-N-[(E)-3-pyridinylmethylidene]-1-piperazinamine
CID 5727668
4-(4-methylphenyl)-N-(4-pyridinylmethylene)-1-piperazinamine
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N,N-dimethyl-1-[(4-phenylphenyl)methyl]pyridin-1-ium-4-amine
CID 8865270
2-Pyridin-4-yl-1,2,3,4-tetrahydro-isoquinoline
CID 9877750
N-(3-methylphenyl)-2-(4-pyridin-2-ylpiperidin-1-yl)acetamide
CID 10425450
1-(1-Phenyl-2-(pyridin-2-yl)ethyl)piperazine
CID 44414862
1-(1-Phenyl-2-(pyridin-4-yl)ethyl)piperazine
CID 44414874

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-propan-2-ylphenyl)piperazin-1-yl]pyridin-3-amine?
The IUPAC name of 4-[4-(3-propan-2-ylphenyl)piperazin-1-yl]pyridin-3-amine (CID 3060369) is 4-[4-(3-propan-2-ylphenyl)piperazin-1-yl]pyridin-3-amine.
What is the SMILES notation for 4-[4-(3-propan-2-ylphenyl)piperazin-1-yl]pyridin-3-amine?
The canonical SMILES for 4-[4-(3-propan-2-ylphenyl)piperazin-1-yl]pyridin-3-amine is CC(C)c1cccc(N2CCN(c3ccncc3N)CC2)c1.
What is the InChIKey of 4-[4-(3-propan-2-ylphenyl)piperazin-1-yl]pyridin-3-amine?
The InChIKey is XEQPXVYWGBUSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-14(2)15-4-3-5-16(12-15)21-8-10-22(11-9-21)18-6-7-20-13-17(18)19/h3-7,12-14H,8-11,19H2,1-2H3.
What are the key properties of 4-[4-(3-propan-2-ylphenyl)piperazin-1-yl]pyridin-3-amine?
4-[4-(3-propan-2-ylphenyl)piperazin-1-yl]pyridin-3-amine has a molecular weight of 296.42 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-propan-2-ylphenyl)piperazin-1-yl]pyridin-3-amine is sourced from PubChem (CID 3060369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).