N-(1-benzylpiperidin-3-yl)-N,6-dimethylpyridin-2-amine

C19H25N3 — CID 133483749

IUPACN-(1-benzylpiperidin-3-yl)-N,6-dimethylpyridin-2-amine
SMILESCc1cccc(N(C)C2CCCN(Cc3ccccc3)C2)n1
InChIInChI=1S/C19H25N3/c1-16-8-6-12-19(20-16)21(2)18-11-7-13-22(15-18)14-17-9-4-3-5-10-17/h3-6,8-10,12,18H,7,11,13-15H2,1-2H3
InChIKeyPOFXJISGUWUIID-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.49
Rot. Bonds4

About N-(1-benzylpiperidin-3-yl)-N,6-dimethylpyridin-2-amine

N-(1-benzylpiperidin-3-yl)-N,6-dimethylpyridin-2-amine (PubChem CID 133483749) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-(1-benzylpiperidin-3-yl)-N,6-dimethylpyridin-2-amine.

Molecular Properties

Compound NameN-(1-benzylpiperidin-3-yl)-N,6-dimethylpyridin-2-amine
PubChem CID133483749
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC NameN-(1-benzylpiperidin-3-yl)-N,6-dimethylpyridin-2-amine
SMILESCc1cccc(N(C)C2CCCN(Cc3ccccc3)C2)n1
InChIInChI=1S/C19H25N3/c1-16-8-6-12-19(20-16)21(2)18-11-7-13-22(15-18)14-17-9-4-3-5-10-17/h3-6,8-10,12,18H,7,11,13-15H2,1-2H3
InChIKeyPOFXJISGUWUIID-UHFFFAOYSA-N
XLogP3.49
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-3-yl)-N,6-dimethylpyridin-2-amine?
The IUPAC name of N-(1-benzylpiperidin-3-yl)-N,6-dimethylpyridin-2-amine (CID 133483749) is N-(1-benzylpiperidin-3-yl)-N,6-dimethylpyridin-2-amine.
What is the SMILES notation for N-(1-benzylpiperidin-3-yl)-N,6-dimethylpyridin-2-amine?
The canonical SMILES for N-(1-benzylpiperidin-3-yl)-N,6-dimethylpyridin-2-amine is Cc1cccc(N(C)C2CCCN(Cc3ccccc3)C2)n1.
What is the InChIKey of N-(1-benzylpiperidin-3-yl)-N,6-dimethylpyridin-2-amine?
The InChIKey is POFXJISGUWUIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3/c1-16-8-6-12-19(20-16)21(2)18-11-7-13-22(15-18)14-17-9-4-3-5-10-17/h3-6,8-10,12,18H,7,11,13-15H2,1-2H3.
What are the key properties of N-(1-benzylpiperidin-3-yl)-N,6-dimethylpyridin-2-amine?
N-(1-benzylpiperidin-3-yl)-N,6-dimethylpyridin-2-amine has a molecular weight of 295.43 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-3-yl)-N,6-dimethylpyridin-2-amine is sourced from PubChem (CID 133483749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).