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

C16H25N3 — CID 63171878

IUPAC[2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
SMILESNCc1ccccc1N1CCC(N2CCCCC2)C1
InChIInChI=1S/C16H25N3/c17-12-14-6-2-3-7-16(14)19-11-8-15(13-19)18-9-4-1-5-10-18/h2-3,6-7,15H,1,4-5,8-13,17H2
InChIKeyMZRBLKJUPGENBK-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.21
Rot. Bonds3

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

[2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine (PubChem CID 63171878) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is [2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
PubChem CID63171878
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name[2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
SMILESNCc1ccccc1N1CCC(N2CCCCC2)C1
InChIInChI=1S/C16H25N3/c17-12-14-6-2-3-7-16(14)19-11-8-15(13-19)18-9-4-1-5-10-18/h2-3,6-7,15H,1,4-5,8-13,17H2
InChIKeyMZRBLKJUPGENBK-UHFFFAOYSA-N
XLogP2.21
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(chloromethyl)phenyl]-3-pyrrolidin-1-ylpyrrolidine
CID 55160329
[4-chloro-2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
CID 63172008
[5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
CID 63170949
[5-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
CID 63171616
[2,3-difluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
CID 107932932
2-(3-piperidin-1-ylpyrrolidin-1-yl)benzonitrile
CID 63512012
1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]propan-1-amine
CID 115995211
[6-methyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine
CID 81247429
1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]-N-methylmethanamine
CID 79935349
1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]propan-2-amine
CID 79924766
2-methyl-3-(3-piperidin-1-ylpyrrolidin-1-yl)aniline
CID 55159356
[5-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanamine
CID 114889518

Frequently Asked Questions

What is the IUPAC name of [2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine?
The IUPAC name of [2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine (CID 63171878) is [2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine.
What is the SMILES notation for [2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine?
The canonical SMILES for [2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine is NCc1ccccc1N1CCC(N2CCCCC2)C1.
What is the InChIKey of [2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine?
The InChIKey is MZRBLKJUPGENBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c17-12-14-6-2-3-7-16(14)19-11-8-15(13-19)18-9-4-1-5-10-18/h2-3,6-7,15H,1,4-5,8-13,17H2.
What are the key properties of [2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine?
[2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine has a molecular weight of 259.40 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine is sourced from PubChem (CID 63171878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).