1-methyl-N-(4-piperidin-1-ylphenyl)pyrrolidin-3-amine

C16H25N3 — CID 55139850

IUPAC1-methyl-N-(4-piperidin-1-ylphenyl)pyrrolidin-3-amine
SMILESCN1CCC(Nc2ccc(N3CCCCC3)cc2)C1
InChIInChI=1S/C16H25N3/c1-18-12-9-15(13-18)17-14-5-7-16(8-6-14)19-10-3-2-4-11-19/h5-8,15,17H,2-4,9-13H2,1H3
InChIKeyRPATZNTZOHQPGX-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.79
Rot. Bonds3

About 1-methyl-N-(4-piperidin-1-ylphenyl)pyrrolidin-3-amine

1-methyl-N-(4-piperidin-1-ylphenyl)pyrrolidin-3-amine (PubChem CID 55139850) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 1-methyl-N-(4-piperidin-1-ylphenyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-methyl-N-(4-piperidin-1-ylphenyl)pyrrolidin-3-amine
PubChem CID55139850
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name1-methyl-N-(4-piperidin-1-ylphenyl)pyrrolidin-3-amine
SMILESCN1CCC(Nc2ccc(N3CCCCC3)cc2)C1
InChIInChI=1S/C16H25N3/c1-18-12-9-15(13-18)17-14-5-7-16(8-6-14)19-10-3-2-4-11-19/h5-8,15,17H,2-4,9-13H2,1H3
InChIKeyRPATZNTZOHQPGX-UHFFFAOYSA-N
XLogP2.79
TPSA18.51 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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-methyl-N-[(4-piperidin-1-ylphenyl)methyl]pyrrolidin-3-amine
CID 61462297
N-(4-piperidin-1-ylphenyl)thian-4-amine
CID 43715688
N-(4-pyrrolidin-1-ylphenyl)piperidin-4-amine
CID 61015948
N-(3-propan-2-ylcyclobutyl)-4-pyrrolidin-1-ylaniline
CID 103561450
1,1-dioxo-N-(4-pyrrolidin-1-ylphenyl)thiolan-3-amine
CID 55025310
1-oxo-N-(4-pyrrolidin-1-ylphenyl)thian-4-amine
CID 54981528
trans-(1R,2R)-2-(4-piperidin-1-ylanilino)cyclopentan-1-ol
CID 102733438
trans-(1S,2S)-2-(4-piperidin-1-ylanilino)cyclopentan-1-ol
CID 102733437
trans-(1S,2S)-2-(4-piperidin-1-ylanilino)cyclohexan-1-ol
CID 102731230
2-methyl-2-[4-[(1-methylpyrrolidin-3-yl)amino]phenyl]propanenitrile
CID 62975960
N-(4-pyrrolidin-1-ylphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43732240
1-methyl-N-(3-pyrrolidin-1-ylphenyl)azepan-4-amine
CID 65070389

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(4-piperidin-1-ylphenyl)pyrrolidin-3-amine?
The IUPAC name of 1-methyl-N-(4-piperidin-1-ylphenyl)pyrrolidin-3-amine (CID 55139850) is 1-methyl-N-(4-piperidin-1-ylphenyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-methyl-N-(4-piperidin-1-ylphenyl)pyrrolidin-3-amine?
The canonical SMILES for 1-methyl-N-(4-piperidin-1-ylphenyl)pyrrolidin-3-amine is CN1CCC(Nc2ccc(N3CCCCC3)cc2)C1.
What is the InChIKey of 1-methyl-N-(4-piperidin-1-ylphenyl)pyrrolidin-3-amine?
The InChIKey is RPATZNTZOHQPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-18-12-9-15(13-18)17-14-5-7-16(8-6-14)19-10-3-2-4-11-19/h5-8,15,17H,2-4,9-13H2,1H3.
What are the key properties of 1-methyl-N-(4-piperidin-1-ylphenyl)pyrrolidin-3-amine?
1-methyl-N-(4-piperidin-1-ylphenyl)pyrrolidin-3-amine has a molecular weight of 259.40 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(4-piperidin-1-ylphenyl)pyrrolidin-3-amine is sourced from PubChem (CID 55139850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).