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

C16H24ClN3 — CID 63172008

IUPAC[4-chloro-2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
SMILESNCc1ccc(Cl)cc1N1CCC(N2CCCCC2)C1
InChIInChI=1S/C16H24ClN3/c17-14-5-4-13(11-18)16(10-14)20-9-6-15(12-20)19-7-2-1-3-8-19/h4-5,10,15H,1-3,6-9,11-12,18H2
InChIKeyIQPODFFUHIWHIP-UHFFFAOYSA-N
MW293.84 g/mol
LogP2.86
Rot. Bonds3

About [4-chloro-2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine

[4-chloro-2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine (PubChem CID 63172008) has the molecular formula C16H24ClN3 and a molecular weight of 293.84 g/mol. Its IUPAC name is [4-chloro-2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-chloro-2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
PubChem CID63172008
Molecular FormulaC16H24ClN3
Molecular Weight293.84 g/mol
Exact Mass293.17
IUPAC Name[4-chloro-2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
SMILESNCc1ccc(Cl)cc1N1CCC(N2CCCCC2)C1
InChIInChI=1S/C16H24ClN3/c17-14-5-4-13(11-18)16(10-14)20-9-6-15(12-20)19-7-2-1-3-8-19/h4-5,10,15H,1-3,6-9,11-12,18H2
InChIKeyIQPODFFUHIWHIP-UHFFFAOYSA-N
XLogP2.86
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]ethanamine
CID 114860944
[5-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
CID 63171616
1-[5-chloro-2-(chloromethyl)phenyl]-3-pyrrolidin-1-ylpyrrolidine
CID 114846658
2-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-chlorophenyl]ethanamine
CID 114861974
[2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
CID 63171878
2-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-4-chlorophenyl]ethanamine
CID 114861027
[5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
CID 63170949
[2,3-difluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
CID 107932932
[6-methyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine
CID 81247429
[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-4-bromophenyl]methanamine
CID 63150594
[1-[2-(aminomethyl)-5-chlorophenyl]piperidin-3-yl]methanol
CID 63082651
[2-chloro-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanamine
CID 62946182

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine?
The IUPAC name of [4-chloro-2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine (CID 63172008) is [4-chloro-2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine.
What is the SMILES notation for [4-chloro-2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine?
The canonical SMILES for [4-chloro-2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine is NCc1ccc(Cl)cc1N1CCC(N2CCCCC2)C1.
What is the InChIKey of [4-chloro-2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine?
The InChIKey is IQPODFFUHIWHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3/c17-14-5-4-13(11-18)16(10-14)20-9-6-15(12-20)19-7-2-1-3-8-19/h4-5,10,15H,1-3,6-9,11-12,18H2.
What are the key properties of [4-chloro-2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine?
[4-chloro-2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine has a molecular weight of 293.84 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine is sourced from PubChem (CID 63172008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).