3-(3-piperidin-1-ylpyrrolidin-1-yl)aniline

C15H23N3 — CID 63168101

IUPAC3-(3-piperidin-1-ylpyrrolidin-1-yl)aniline
SMILESNc1cccc(N2CCC(N3CCCCC3)C2)c1
InChIInChI=1S/C15H23N3/c16-13-5-4-6-14(11-13)18-10-7-15(12-18)17-8-2-1-3-9-17/h4-6,11,15H,1-3,7-10,12,16H2
InChIKeyNFLLATSFDQNXHV-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.33
Rot. Bonds2

About 3-(3-piperidin-1-ylpyrrolidin-1-yl)aniline

3-(3-piperidin-1-ylpyrrolidin-1-yl)aniline (PubChem CID 63168101) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 3-(3-piperidin-1-ylpyrrolidin-1-yl)aniline.

Molecular Properties

Compound Name3-(3-piperidin-1-ylpyrrolidin-1-yl)aniline
PubChem CID63168101
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name3-(3-piperidin-1-ylpyrrolidin-1-yl)aniline
SMILESNc1cccc(N2CCC(N3CCCCC3)C2)c1
InChIInChI=1S/C15H23N3/c16-13-5-4-6-14(11-13)18-10-7-15(12-18)17-8-2-1-3-9-17/h4-6,11,15H,1-3,7-10,12,16H2
InChIKeyNFLLATSFDQNXHV-UHFFFAOYSA-N
XLogP2.33
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-(3-piperidin-1-ylpyrrolidin-1-yl)pyridin-3-amine
CID 113424017
3-methyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline
CID 112647756
3-methoxy-6-[3-(3-piperidin-1-ylpyrrolidin-1-yl)phenoxy]pyridazine
CID 68736580
3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline
CID 66656690
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)aniline
CID 43620189
3-chloro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline
CID 63168533
2-methoxy-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline
CID 55231767
3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)aniline
CID 79931599
2-methyl-3-(3-piperidin-1-ylpyrrolidin-1-yl)aniline
CID 55159356
(1R)-1-[4-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]ethanamine
CID 78936816
2-(3-methylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79930620
2-bromo-4-(3-piperidin-1-ylpyrrolidin-1-yl)benzenecarbothioamide
CID 107277789

Frequently Asked Questions

What is the IUPAC name of 3-(3-piperidin-1-ylpyrrolidin-1-yl)aniline?
The IUPAC name of 3-(3-piperidin-1-ylpyrrolidin-1-yl)aniline (CID 63168101) is 3-(3-piperidin-1-ylpyrrolidin-1-yl)aniline.
What is the SMILES notation for 3-(3-piperidin-1-ylpyrrolidin-1-yl)aniline?
The canonical SMILES for 3-(3-piperidin-1-ylpyrrolidin-1-yl)aniline is Nc1cccc(N2CCC(N3CCCCC3)C2)c1.
What is the InChIKey of 3-(3-piperidin-1-ylpyrrolidin-1-yl)aniline?
The InChIKey is NFLLATSFDQNXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c16-13-5-4-6-14(11-13)18-10-7-15(12-18)17-8-2-1-3-9-17/h4-6,11,15H,1-3,7-10,12,16H2.
What are the key properties of 3-(3-piperidin-1-ylpyrrolidin-1-yl)aniline?
3-(3-piperidin-1-ylpyrrolidin-1-yl)aniline has a molecular weight of 245.37 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-piperidin-1-ylpyrrolidin-1-yl)aniline is sourced from PubChem (CID 63168101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).