N-(1-benzylpiperidin-4-yl)-N-methyl-3-propan-2-yloxypyridin-2-amine

C21H29N3O — CID 5615

IUPACN-(1-benzylpiperidin-4-yl)-N-methyl-3-propan-2-yloxypyridin-2-amine
SMILESCC(C)Oc1cccnc1N(C)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H29N3O/c1-17(2)25-20-10-7-13-22-21(20)23(3)19-11-14-24(15-12-19)16-18-8-5-4-6-9-18/h4-10,13,17,19H,11-12,14-16H2,1-3H3
InChIKeyWFLHEXUTTRRXFJ-UHFFFAOYSA-N
MW339.48 g/mol
LogP3.97
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-N-methyl-3-propan-2-yloxypyridin-2-amine

N-(1-benzylpiperidin-4-yl)-N-methyl-3-propan-2-yloxypyridin-2-amine (PubChem CID 5615) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-N-methyl-3-propan-2-yloxypyridin-2-amine.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-N-methyl-3-propan-2-yloxypyridin-2-amine
PubChem CID5615
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC NameN-(1-benzylpiperidin-4-yl)-N-methyl-3-propan-2-yloxypyridin-2-amine
SMILESCC(C)Oc1cccnc1N(C)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H29N3O/c1-17(2)25-20-10-7-13-22-21(20)23(3)19-11-14-24(15-12-19)16-18-8-5-4-6-9-18/h4-10,13,17,19H,11-12,14-16H2,1-3H3
InChIKeyWFLHEXUTTRRXFJ-UHFFFAOYSA-N
XLogP3.97
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-N-methyl-3-propan-2-yloxypyridin-2-amine?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-N-methyl-3-propan-2-yloxypyridin-2-amine (CID 5615) is N-(1-benzylpiperidin-4-yl)-N-methyl-3-propan-2-yloxypyridin-2-amine.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-N-methyl-3-propan-2-yloxypyridin-2-amine?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-N-methyl-3-propan-2-yloxypyridin-2-amine is CC(C)Oc1cccnc1N(C)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-N-methyl-3-propan-2-yloxypyridin-2-amine?
The InChIKey is WFLHEXUTTRRXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-17(2)25-20-10-7-13-22-21(20)23(3)19-11-14-24(15-12-19)16-18-8-5-4-6-9-18/h4-10,13,17,19H,11-12,14-16H2,1-3H3.
What are the key properties of N-(1-benzylpiperidin-4-yl)-N-methyl-3-propan-2-yloxypyridin-2-amine?
N-(1-benzylpiperidin-4-yl)-N-methyl-3-propan-2-yloxypyridin-2-amine has a molecular weight of 339.48 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-N-methyl-3-propan-2-yloxypyridin-2-amine is sourced from PubChem (CID 5615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).