2-(1-benzylpiperidin-4-yl)-3,4-dihydro-1H-2,7-naphthyridine

C20H25N3 — CID 164880602

IUPAC2-(1-benzylpiperidin-4-yl)-3,4-dihydro-1H-2,7-naphthyridine
SMILESc1ccc(CN2CCC(N3CCc4ccncc4C3)CC2)cc1
InChIInChI=1S/C20H25N3/c1-2-4-17(5-3-1)15-22-11-8-20(9-12-22)23-13-7-18-6-10-21-14-19(18)16-23/h1-6,10,14,20H,7-9,11-13,15-16H2
InChIKeyLGTSJJYRBRFSTR-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.10
Rot. Bonds3

About 2-(1-benzylpiperidin-4-yl)-3,4-dihydro-1H-2,7-naphthyridine

2-(1-benzylpiperidin-4-yl)-3,4-dihydro-1H-2,7-naphthyridine (PubChem CID 164880602) has the molecular formula C20H25N3 and a molecular weight of 307.44 g/mol. Its IUPAC name is 2-(1-benzylpiperidin-4-yl)-3,4-dihydro-1H-2,7-naphthyridine.

Molecular Properties

Compound Name2-(1-benzylpiperidin-4-yl)-3,4-dihydro-1H-2,7-naphthyridine
PubChem CID164880602
Molecular FormulaC20H25N3
Molecular Weight307.44 g/mol
Exact Mass307.20
IUPAC Name2-(1-benzylpiperidin-4-yl)-3,4-dihydro-1H-2,7-naphthyridine
SMILESc1ccc(CN2CCC(N3CCc4ccncc4C3)CC2)cc1
InChIInChI=1S/C20H25N3/c1-2-4-17(5-3-1)15-22-11-8-20(9-12-22)23-13-7-18-6-10-21-14-19(18)16-23/h1-6,10,14,20H,7-9,11-13,15-16H2
InChIKeyLGTSJJYRBRFSTR-UHFFFAOYSA-N
XLogP3.10
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-benzylpiperidin-4-yl)-6-bromo-3,4-dihydro-1H-isoquinoline
CID 170561008
2-[1-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]piperidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 131927956
1-(1-benzylpiperidin-4-yl)azocane
CID 2846402
(3R,4R)-1-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-3-ol
CID 156503157
(3R,4R)-1-(1-benzylpiperidin-4-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 134704934
1-benzyl-4-cyclopropylpiperazine
CID 69195043
1-(1-benzylpiperidin-4-yl)piperidin-4-ol
CID 67272846
2-benzylsulfonyl-3,4-dihydro-1H-2,7-naphthyridine
CID 166282081
2-(1,2-dibenzylpiperidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 175501827
oxalic acid;1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]azepane
CID 2912313
2-(1-benzylpiperidin-4-yl)-1,3-dihydroisoindole-5-carbonitrile
CID 94778714
1-benzyl-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperazine
CID 1334692

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpiperidin-4-yl)-3,4-dihydro-1H-2,7-naphthyridine?
The IUPAC name of 2-(1-benzylpiperidin-4-yl)-3,4-dihydro-1H-2,7-naphthyridine (CID 164880602) is 2-(1-benzylpiperidin-4-yl)-3,4-dihydro-1H-2,7-naphthyridine.
What is the SMILES notation for 2-(1-benzylpiperidin-4-yl)-3,4-dihydro-1H-2,7-naphthyridine?
The canonical SMILES for 2-(1-benzylpiperidin-4-yl)-3,4-dihydro-1H-2,7-naphthyridine is c1ccc(CN2CCC(N3CCc4ccncc4C3)CC2)cc1.
What is the InChIKey of 2-(1-benzylpiperidin-4-yl)-3,4-dihydro-1H-2,7-naphthyridine?
The InChIKey is LGTSJJYRBRFSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3/c1-2-4-17(5-3-1)15-22-11-8-20(9-12-22)23-13-7-18-6-10-21-14-19(18)16-23/h1-6,10,14,20H,7-9,11-13,15-16H2.
What are the key properties of 2-(1-benzylpiperidin-4-yl)-3,4-dihydro-1H-2,7-naphthyridine?
2-(1-benzylpiperidin-4-yl)-3,4-dihydro-1H-2,7-naphthyridine has a molecular weight of 307.44 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpiperidin-4-yl)-3,4-dihydro-1H-2,7-naphthyridine is sourced from PubChem (CID 164880602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).