1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]propan-1-amine

C18H29N3 — CID 115995211

IUPAC1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]propan-1-amine
SMILESCCC(N)c1ccccc1N1CCC(N2CCCCC2)C1
InChIInChI=1S/C18H29N3/c1-2-17(19)16-8-4-5-9-18(16)21-13-10-15(14-21)20-11-6-3-7-12-20/h4-5,8-9,15,17H,2-3,6-7,10-14,19H2,1H3
InChIKeyQYUQJHIIFORVLS-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.16
Rot. Bonds4

About 1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]propan-1-amine

1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]propan-1-amine (PubChem CID 115995211) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]propan-1-amine.

Molecular Properties

Compound Name1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]propan-1-amine
PubChem CID115995211
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]propan-1-amine
SMILESCCC(N)c1ccccc1N1CCC(N2CCCCC2)C1
InChIInChI=1S/C18H29N3/c1-2-17(19)16-8-4-5-9-18(16)21-13-10-15(14-21)20-11-6-3-7-12-20/h4-5,8-9,15,17H,2-3,6-7,10-14,19H2,1H3
InChIKeyQYUQJHIIFORVLS-UHFFFAOYSA-N
XLogP3.16
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]propan-1-amine
CID 103959029
(1S)-1-[2-(azepan-1-yl)phenyl]propan-1-amine
CID 103958428
1-[2-(4-cyclopropylpiperazin-1-yl)phenyl]propan-1-amine
CID 112677997
1-[2-(1-aminopropyl)phenyl]pyrrolidin-3-ol
CID 112678103
1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]ethanol
CID 63170127
(1S)-1-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]propan-1-amine
CID 103959030
1-[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]propan-1-amine
CID 115995355
[2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
CID 63171878
2-[2-[(1S)-1-aminopropyl]phenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 103959095
1-[2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]propan-1-amine
CID 112678137
1-[2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]propan-1-amine
CID 102959014
(1R)-1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]propan-1-amine
CID 113358830

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]propan-1-amine?
The IUPAC name of 1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]propan-1-amine (CID 115995211) is 1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]propan-1-amine.
What is the SMILES notation for 1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]propan-1-amine?
The canonical SMILES for 1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]propan-1-amine is CCC(N)c1ccccc1N1CCC(N2CCCCC2)C1.
What is the InChIKey of 1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]propan-1-amine?
The InChIKey is QYUQJHIIFORVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-2-17(19)16-8-4-5-9-18(16)21-13-10-15(14-21)20-11-6-3-7-12-20/h4-5,8-9,15,17H,2-3,6-7,10-14,19H2,1H3.
What are the key properties of 1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]propan-1-amine?
1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]propan-1-amine has a molecular weight of 287.45 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]propan-1-amine is sourced from PubChem (CID 115995211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).