N-benzyl-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine

C19H25N3 — CID 50968510

IUPACN-benzyl-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine
SMILESCN1CCC(N(Cc2ccccc2)Cc2ccncc2)CC1
InChIInChI=1S/C19H25N3/c1-21-13-9-19(10-14-21)22(15-17-5-3-2-4-6-17)16-18-7-11-20-12-8-18/h2-8,11-12,19H,9-10,13-16H2,1H3
InChIKeyGWXGCTKMZKGZBP-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.18
Rot. Bonds5

About N-benzyl-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine

N-benzyl-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine (PubChem CID 50968510) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-benzyl-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-benzyl-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine
PubChem CID50968510
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC NameN-benzyl-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine
SMILESCN1CCC(N(Cc2ccccc2)Cc2ccncc2)CC1
InChIInChI=1S/C19H25N3/c1-21-13-9-19(10-14-21)22(15-17-5-3-2-4-6-17)16-18-7-11-20-12-8-18/h2-8,11-12,19H,9-10,13-16H2,1H3
InChIKeyGWXGCTKMZKGZBP-UHFFFAOYSA-N
XLogP3.18
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine?
The IUPAC name of N-benzyl-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine (CID 50968510) is N-benzyl-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine.
What is the SMILES notation for N-benzyl-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine?
The canonical SMILES for N-benzyl-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine is CN1CCC(N(Cc2ccccc2)Cc2ccncc2)CC1.
What is the InChIKey of N-benzyl-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine?
The InChIKey is GWXGCTKMZKGZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3/c1-21-13-9-19(10-14-21)22(15-17-5-3-2-4-6-17)16-18-7-11-20-12-8-18/h2-8,11-12,19H,9-10,13-16H2,1H3.
What are the key properties of N-benzyl-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine?
N-benzyl-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine has a molecular weight of 295.43 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 50968510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).