1-methyl-N-(3-pyrrolidin-2-ylphenyl)piperidin-4-amine

C16H25N3 — CID 118900458

IUPAC1-methyl-N-(3-pyrrolidin-2-ylphenyl)piperidin-4-amine
SMILESCN1CCC(Nc2cccc(C3CCCN3)c2)CC1
InChIInChI=1S/C16H25N3/c1-19-10-7-14(8-11-19)18-15-5-2-4-13(12-15)16-6-3-9-17-16/h2,4-5,12,14,16-18H,3,6-11H2,1H3
InChIKeyKLFUPVNDTKDUCK-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.62
Rot. Bonds3

About 1-methyl-N-(3-pyrrolidin-2-ylphenyl)piperidin-4-amine

1-methyl-N-(3-pyrrolidin-2-ylphenyl)piperidin-4-amine (PubChem CID 118900458) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 1-methyl-N-(3-pyrrolidin-2-ylphenyl)piperidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-(3-pyrrolidin-2-ylphenyl)piperidin-4-amine
PubChem CID118900458
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name1-methyl-N-(3-pyrrolidin-2-ylphenyl)piperidin-4-amine
SMILESCN1CCC(Nc2cccc(C3CCCN3)c2)CC1
InChIInChI=1S/C16H25N3/c1-19-10-7-14(8-11-19)18-15-5-2-4-13(12-15)16-6-3-9-17-16/h2,4-5,12,14,16-18H,3,6-11H2,1H3
InChIKeyKLFUPVNDTKDUCK-UHFFFAOYSA-N
XLogP2.62
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3-pyrrolidin-2-ylphenyl)piperidin-4-amine?
The IUPAC name of 1-methyl-N-(3-pyrrolidin-2-ylphenyl)piperidin-4-amine (CID 118900458) is 1-methyl-N-(3-pyrrolidin-2-ylphenyl)piperidin-4-amine.
What is the SMILES notation for 1-methyl-N-(3-pyrrolidin-2-ylphenyl)piperidin-4-amine?
The canonical SMILES for 1-methyl-N-(3-pyrrolidin-2-ylphenyl)piperidin-4-amine is CN1CCC(Nc2cccc(C3CCCN3)c2)CC1.
What is the InChIKey of 1-methyl-N-(3-pyrrolidin-2-ylphenyl)piperidin-4-amine?
The InChIKey is KLFUPVNDTKDUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-19-10-7-14(8-11-19)18-15-5-2-4-13(12-15)16-6-3-9-17-16/h2,4-5,12,14,16-18H,3,6-11H2,1H3.
What are the key properties of 1-methyl-N-(3-pyrrolidin-2-ylphenyl)piperidin-4-amine?
1-methyl-N-(3-pyrrolidin-2-ylphenyl)piperidin-4-amine has a molecular weight of 259.40 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3-pyrrolidin-2-ylphenyl)piperidin-4-amine is sourced from PubChem (CID 118900458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).