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

C17H27N3 — CID 61462297

IUPAC1-methyl-N-[(4-piperidin-1-ylphenyl)methyl]pyrrolidin-3-amine
SMILESCN1CCC(NCc2ccc(N3CCCCC3)cc2)C1
InChIInChI=1S/C17H27N3/c1-19-12-9-16(14-19)18-13-15-5-7-17(8-6-15)20-10-3-2-4-11-20/h5-8,16,18H,2-4,9-14H2,1H3
InChIKeyNVVPUYIAXULQBB-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.47
Rot. Bonds4

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

1-methyl-N-[(4-piperidin-1-ylphenyl)methyl]pyrrolidin-3-amine (PubChem CID 61462297) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-methyl-N-[(4-piperidin-1-ylphenyl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-methyl-N-[(4-piperidin-1-ylphenyl)methyl]pyrrolidin-3-amine
PubChem CID61462297
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name1-methyl-N-[(4-piperidin-1-ylphenyl)methyl]pyrrolidin-3-amine
SMILESCN1CCC(NCc2ccc(N3CCCCC3)cc2)C1
InChIInChI=1S/C17H27N3/c1-19-12-9-16(14-19)18-13-15-5-7-17(8-6-15)20-10-3-2-4-11-20/h5-8,16,18H,2-4,9-14H2,1H3
InChIKeyNVVPUYIAXULQBB-UHFFFAOYSA-N
XLogP2.47
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-methyl-N-(4-piperidin-1-ylphenyl)pyrrolidin-3-amine
CID 55139850
1-(1-methylpyrrolidin-3-yl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]methanamine
CID 60855756
4-[[(1-methylpyrrolidin-3-yl)amino]methyl]benzoic acid
CID 55049267
N-[(4-ethoxyphenyl)methyl]-1-methylpyrrolidin-3-amine
CID 54950112
N-[[4-(4-methylazepan-1-yl)phenyl]methyl]cyclopropanamine
CID 63624297
N-[(4-butoxyphenyl)methyl]-1-methylpyrrolidin-3-amine
CID 61462393
N-[[4-(4-ethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
CID 61422129
2-[(4-piperidin-1-ylphenyl)methylamino]cyclohexan-1-ol
CID 60612219
N-[[4-(4,4-dimethylazepan-1-yl)phenyl]methyl]cyclopropanamine
CID 65282584
1-[4-[(cyclopropylamino)methyl]phenyl]-4-methylazepan-4-ol
CID 107405481
N-[[4-(1,4-oxazepan-4-yl)phenyl]methyl]cyclopropanamine
CID 62974165
N-[(4-ethoxyphenyl)methyl]-1-methylpiperidin-3-amine
CID 61212892

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(4-piperidin-1-ylphenyl)methyl]pyrrolidin-3-amine?
The IUPAC name of 1-methyl-N-[(4-piperidin-1-ylphenyl)methyl]pyrrolidin-3-amine (CID 61462297) is 1-methyl-N-[(4-piperidin-1-ylphenyl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-methyl-N-[(4-piperidin-1-ylphenyl)methyl]pyrrolidin-3-amine?
The canonical SMILES for 1-methyl-N-[(4-piperidin-1-ylphenyl)methyl]pyrrolidin-3-amine is CN1CCC(NCc2ccc(N3CCCCC3)cc2)C1.
What is the InChIKey of 1-methyl-N-[(4-piperidin-1-ylphenyl)methyl]pyrrolidin-3-amine?
The InChIKey is NVVPUYIAXULQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-19-12-9-16(14-19)18-13-15-5-7-17(8-6-15)20-10-3-2-4-11-20/h5-8,16,18H,2-4,9-14H2,1H3.
What are the key properties of 1-methyl-N-[(4-piperidin-1-ylphenyl)methyl]pyrrolidin-3-amine?
1-methyl-N-[(4-piperidin-1-ylphenyl)methyl]pyrrolidin-3-amine has a molecular weight of 273.42 g/mol, XLogP of 2.47, 4 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)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 61462297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).