4-(1-benzylpiperidin-4-yl)-4-cyclopentyl-2,3-dihydro-1H-isoquinoline

C26H34N2 — CID 145397347

IUPAC4-(1-benzylpiperidin-4-yl)-4-cyclopentyl-2,3-dihydro-1H-isoquinoline
SMILESc1ccc(CN2CCC(C3(C4CCCC4)CNCc4ccccc43)CC2)cc1
InChIInChI=1S/C26H34N2/c1-2-8-21(9-3-1)19-28-16-14-24(15-17-28)26(23-11-5-6-12-23)20-27-18-22-10-4-7-13-25(22)26/h1-4,7-10,13,23-24,27H,5-6,11-12,14-20H2
InChIKeyNEFHNSPVOCDQNQ-UHFFFAOYSA-N
MW374.57 g/mol
LogP5.13
Rot. Bonds4

About 4-(1-benzylpiperidin-4-yl)-4-cyclopentyl-2,3-dihydro-1H-isoquinoline

4-(1-benzylpiperidin-4-yl)-4-cyclopentyl-2,3-dihydro-1H-isoquinoline (PubChem CID 145397347) has the molecular formula C26H34N2 and a molecular weight of 374.57 g/mol. Its IUPAC name is 4-(1-benzylpiperidin-4-yl)-4-cyclopentyl-2,3-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name4-(1-benzylpiperidin-4-yl)-4-cyclopentyl-2,3-dihydro-1H-isoquinoline
PubChem CID145397347
Molecular FormulaC26H34N2
Molecular Weight374.57 g/mol
Exact Mass374.27
IUPAC Name4-(1-benzylpiperidin-4-yl)-4-cyclopentyl-2,3-dihydro-1H-isoquinoline
SMILESc1ccc(CN2CCC(C3(C4CCCC4)CNCc4ccccc43)CC2)cc1
InChIInChI=1S/C26H34N2/c1-2-8-21(9-3-1)19-28-16-14-24(15-17-28)26(23-11-5-6-12-23)20-27-18-22-10-4-7-13-25(22)26/h1-4,7-10,13,23-24,27H,5-6,11-12,14-20H2
InChIKeyNEFHNSPVOCDQNQ-UHFFFAOYSA-N
XLogP5.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.57
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(1-benzylpiperidin-4-yl)-4-cyclopentyl-2,3-dihydro-1H-isoquinoline 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-[(1S,2R)-2-[4-(1-benzylpiperidin-4-yl)-2,3-dihydro-1H-isoquinolin-4-yl]cyclopentyl]-3-methylurea
CID 138651485
methyl 4-(1-benzylpiperidin-4-yl)-4-cyclopentyl-1,3-dihydroisoquinoline-2-carboxylate
CID 145397379
1-(1-benzylazepan-4-yl)cyclopropan-1-amine
CID 83912862
(2S)-1'-benzylspiro[4,5-dihydro-3H-1,4-benzoxazepine-2,4'-azepane]
CID 95854167
1-benzylpiperidin-4-amine;piperazine
CID 68641719
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
5-(4-benzylpiperazin-1-yl)-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 113361696
9-(1-benzylpyrrolidin-3-yl)fluoren-9-ol
CID 122392287
4-(1-benzylpiperidin-4-yl)-4-phenylimidazolidin-2-one
CID 141144551
1-benzylazepane
CID 10954328
1-benzyl-N,N-dicyclopropylpiperidin-4-amine
CID 11097616
1-(1-benzylpiperidin-4-yl)azocane
CID 2846402

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzylpiperidin-4-yl)-4-cyclopentyl-2,3-dihydro-1H-isoquinoline?
The IUPAC name of 4-(1-benzylpiperidin-4-yl)-4-cyclopentyl-2,3-dihydro-1H-isoquinoline (CID 145397347) is 4-(1-benzylpiperidin-4-yl)-4-cyclopentyl-2,3-dihydro-1H-isoquinoline.
What is the SMILES notation for 4-(1-benzylpiperidin-4-yl)-4-cyclopentyl-2,3-dihydro-1H-isoquinoline?
The canonical SMILES for 4-(1-benzylpiperidin-4-yl)-4-cyclopentyl-2,3-dihydro-1H-isoquinoline is c1ccc(CN2CCC(C3(C4CCCC4)CNCc4ccccc43)CC2)cc1.
What is the InChIKey of 4-(1-benzylpiperidin-4-yl)-4-cyclopentyl-2,3-dihydro-1H-isoquinoline?
The InChIKey is NEFHNSPVOCDQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2/c1-2-8-21(9-3-1)19-28-16-14-24(15-17-28)26(23-11-5-6-12-23)20-27-18-22-10-4-7-13-25(22)26/h1-4,7-10,13,23-24,27H,5-6,11-12,14-20H2.
What are the key properties of 4-(1-benzylpiperidin-4-yl)-4-cyclopentyl-2,3-dihydro-1H-isoquinoline?
4-(1-benzylpiperidin-4-yl)-4-cyclopentyl-2,3-dihydro-1H-isoquinoline has a molecular weight of 374.57 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzylpiperidin-4-yl)-4-cyclopentyl-2,3-dihydro-1H-isoquinoline is sourced from PubChem (CID 145397347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).