10-[(1-benzylpiperidin-2-yl)methyl]-7,8-dimethyl-5H-benzo[g]pteridine

C25H29N5 — CID 141285019

IUPAC10-[(1-benzylpiperidin-2-yl)methyl]-7,8-dimethyl-5H-benzo[g]pteridine
SMILESCc1cc2c(cc1C)N(CC1CCCCN1Cc1ccccc1)c1ncncc1N2
InChIInChI=1S/C25H29N5/c1-18-12-22-24(13-19(18)2)30(25-23(28-22)14-26-17-27-25)16-21-10-6-7-11-29(21)15-20-8-4-3-5-9-20/h3-5,8-9,12-14,17,21,28H,6-7,10-11,15-16H2,1-2H3
InChIKeyWJCNGEOGNFVIGS-UHFFFAOYSA-N
MW399.54 g/mol
LogP5.34
Rot. Bonds4

About 10-[(1-benzylpiperidin-2-yl)methyl]-7,8-dimethyl-5H-benzo[g]pteridine

10-[(1-benzylpiperidin-2-yl)methyl]-7,8-dimethyl-5H-benzo[g]pteridine (PubChem CID 141285019) has the molecular formula C25H29N5 and a molecular weight of 399.54 g/mol. Its IUPAC name is 10-[(1-benzylpiperidin-2-yl)methyl]-7,8-dimethyl-5H-benzo[g]pteridine.

Molecular Properties

Compound Name10-[(1-benzylpiperidin-2-yl)methyl]-7,8-dimethyl-5H-benzo[g]pteridine
PubChem CID141285019
Molecular FormulaC25H29N5
Molecular Weight399.54 g/mol
Exact Mass399.24
IUPAC Name10-[(1-benzylpiperidin-2-yl)methyl]-7,8-dimethyl-5H-benzo[g]pteridine
SMILESCc1cc2c(cc1C)N(CC1CCCCN1Cc1ccccc1)c1ncncc1N2
InChIInChI=1S/C25H29N5/c1-18-12-22-24(13-19(18)2)30(25-23(28-22)14-26-17-27-25)16-21-10-6-7-11-29(21)15-20-8-4-3-5-9-20/h3-5,8-9,12-14,17,21,28H,6-7,10-11,15-16H2,1-2H3
InChIKeyWJCNGEOGNFVIGS-UHFFFAOYSA-N
XLogP5.34
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.54
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 10-[(1-benzylpiperidin-2-yl)methyl]-7,8-dimethyl-5H-benzo[g]pteridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-3,5-dimethylpyrazole
CID 141327365
(2S)-1-benzyl-2-propylpiperidine
CID 71407726
(2S)-1-[(1-methylpyrazol-4-yl)methyl]-2-(2-phenylethyl)piperidine
CID 95876965
1-benzyl-2-(2-chloroethyl)piperidine
CID 18473722
(2R)-1-benzyl-2-(bromomethyl)piperidine;hydrochloride
CID 67264853
2-ethyl-5-[[(2S)-2-(2-phenylethyl)piperidin-1-yl]methyl]pyrimidine
CID 95869234
N-[2-[(2S)-1-benzylpiperidin-2-yl]ethyl]pyrimidin-4-amine
CID 97126067
1-(1-benzylpiperidin-2-yl)-N-methylpropan-2-amine
CID 83982317
5-(1-benzylpiperidin-2-yl)-4-methyl-2-pyrrolidin-1-ylpyridine
CID 102542992
(1-benzylpiperidin-2-yl)methylhydrazine
CID 53402111
1-benzyl-2-fluoropiperidine
CID 54431864
3-[(2-ethylpiperidin-1-yl)methyl]pyridine
CID 47021485

Frequently Asked Questions

What is the IUPAC name of 10-[(1-benzylpiperidin-2-yl)methyl]-7,8-dimethyl-5H-benzo[g]pteridine?
The IUPAC name of 10-[(1-benzylpiperidin-2-yl)methyl]-7,8-dimethyl-5H-benzo[g]pteridine (CID 141285019) is 10-[(1-benzylpiperidin-2-yl)methyl]-7,8-dimethyl-5H-benzo[g]pteridine.
What is the SMILES notation for 10-[(1-benzylpiperidin-2-yl)methyl]-7,8-dimethyl-5H-benzo[g]pteridine?
The canonical SMILES for 10-[(1-benzylpiperidin-2-yl)methyl]-7,8-dimethyl-5H-benzo[g]pteridine is Cc1cc2c(cc1C)N(CC1CCCCN1Cc1ccccc1)c1ncncc1N2.
What is the InChIKey of 10-[(1-benzylpiperidin-2-yl)methyl]-7,8-dimethyl-5H-benzo[g]pteridine?
The InChIKey is WJCNGEOGNFVIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5/c1-18-12-22-24(13-19(18)2)30(25-23(28-22)14-26-17-27-25)16-21-10-6-7-11-29(21)15-20-8-4-3-5-9-20/h3-5,8-9,12-14,17,21,28H,6-7,10-11,15-16H2,1-2H3.
What are the key properties of 10-[(1-benzylpiperidin-2-yl)methyl]-7,8-dimethyl-5H-benzo[g]pteridine?
10-[(1-benzylpiperidin-2-yl)methyl]-7,8-dimethyl-5H-benzo[g]pteridine has a molecular weight of 399.54 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(1-benzylpiperidin-2-yl)methyl]-7,8-dimethyl-5H-benzo[g]pteridine is sourced from PubChem (CID 141285019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).