1-benzylspiro[3,4-dihydro-2H-1-benzazepine-5,4'-piperidine]

C21H26N2 — CID 82626814

IUPAC1-benzylspiro[3,4-dihydro-2H-1-benzazepine-5,4'-piperidine]
SMILESc1ccc(CN2CCCC3(CCNCC3)c3ccccc32)cc1
InChIInChI=1S/C21H26N2/c1-2-7-18(8-3-1)17-23-16-6-11-21(12-14-22-15-13-21)19-9-4-5-10-20(19)23/h1-5,7-10,22H,6,11-17H2
InChIKeyVTBOANTVQVTLLY-UHFFFAOYSA-N
MW306.45 g/mol
LogP4.11
Rot. Bonds2

About 1-benzylspiro[3,4-dihydro-2H-1-benzazepine-5,4'-piperidine]

1-benzylspiro[3,4-dihydro-2H-1-benzazepine-5,4'-piperidine] (PubChem CID 82626814) has the molecular formula C21H26N2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 1-benzylspiro[3,4-dihydro-2H-1-benzazepine-5,4'-piperidine].

Molecular Properties

Compound Name1-benzylspiro[3,4-dihydro-2H-1-benzazepine-5,4'-piperidine]
PubChem CID82626814
Molecular FormulaC21H26N2
Molecular Weight306.45 g/mol
Exact Mass306.21
IUPAC Name1-benzylspiro[3,4-dihydro-2H-1-benzazepine-5,4'-piperidine]
SMILESc1ccc(CN2CCCC3(CCNCC3)c3ccccc32)cc1
InChIInChI=1S/C21H26N2/c1-2-7-18(8-3-1)17-23-16-6-11-21(12-14-22-15-13-21)19-9-4-5-10-20(19)23/h1-5,7-10,22H,6,11-17H2
InChIKeyVTBOANTVQVTLLY-UHFFFAOYSA-N
XLogP4.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-2,7-diazaspiro[3.5]nonan-3-one
CID 10421390
1-benzyl-5,6-dimethylspiro[2H-indole-3,4'-piperidine]
CID 83980538
1-(2-methylpropyl)spiro[2H-indole-3,4'-piperidine]
CID 83980527
2-[(3-bromophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one
CID 45074340
(5S)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 95711606
1-benzylspiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]
CID 131669706
7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 56900937
1-benzyl-1,9-diazaspiro[5.5]undecane
CID 25212931
2-[(2-aminophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one
CID 45074352
9-benzyl-3,9-diazaspiro[5.6]dodecan-10-one;hydrochloride
CID 146064547
8-benzyl-3,8-diazaspiro[5.6]dodecane
CID 82665591
2-[(1-oxo-2,9-diazaspiro[5.5]undecan-2-yl)methyl]benzonitrile
CID 45074320

Frequently Asked Questions

What is the IUPAC name of 1-benzylspiro[3,4-dihydro-2H-1-benzazepine-5,4'-piperidine]?
The IUPAC name of 1-benzylspiro[3,4-dihydro-2H-1-benzazepine-5,4'-piperidine] (CID 82626814) is 1-benzylspiro[3,4-dihydro-2H-1-benzazepine-5,4'-piperidine].
What is the SMILES notation for 1-benzylspiro[3,4-dihydro-2H-1-benzazepine-5,4'-piperidine]?
The canonical SMILES for 1-benzylspiro[3,4-dihydro-2H-1-benzazepine-5,4'-piperidine] is c1ccc(CN2CCCC3(CCNCC3)c3ccccc32)cc1.
What is the InChIKey of 1-benzylspiro[3,4-dihydro-2H-1-benzazepine-5,4'-piperidine]?
The InChIKey is VTBOANTVQVTLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2/c1-2-7-18(8-3-1)17-23-16-6-11-21(12-14-22-15-13-21)19-9-4-5-10-20(19)23/h1-5,7-10,22H,6,11-17H2.
What are the key properties of 1-benzylspiro[3,4-dihydro-2H-1-benzazepine-5,4'-piperidine]?
1-benzylspiro[3,4-dihydro-2H-1-benzazepine-5,4'-piperidine] has a molecular weight of 306.45 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylspiro[3,4-dihydro-2H-1-benzazepine-5,4'-piperidine] is sourced from PubChem (CID 82626814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).