4-benzyl-7-chlorospiro[1,3-dihydroquinoxaline-2,4'-piperidine]

C19H22ClN3 — CID 83515174

IUPAC4-benzyl-7-chlorospiro[1,3-dihydroquinoxaline-2,4'-piperidine]
SMILESClc1ccc2c(c1)NC1(CCNCC1)CN2Cc1ccccc1
InChIInChI=1S/C19H22ClN3/c20-16-6-7-18-17(12-16)22-19(8-10-21-11-9-19)14-23(18)13-15-4-2-1-3-5-15/h1-7,12,21-22H,8-11,13-14H2
InChIKeyWYJSVBPBSLGNIU-UHFFFAOYSA-N
MW327.86 g/mol
LogP3.89
Rot. Bonds2

About 4-benzyl-7-chlorospiro[1,3-dihydroquinoxaline-2,4'-piperidine]

4-benzyl-7-chlorospiro[1,3-dihydroquinoxaline-2,4'-piperidine] (PubChem CID 83515174) has the molecular formula C19H22ClN3 and a molecular weight of 327.86 g/mol. Its IUPAC name is 4-benzyl-7-chlorospiro[1,3-dihydroquinoxaline-2,4'-piperidine].

Molecular Properties

Compound Name4-benzyl-7-chlorospiro[1,3-dihydroquinoxaline-2,4'-piperidine]
PubChem CID83515174
Molecular FormulaC19H22ClN3
Molecular Weight327.86 g/mol
Exact Mass327.15
IUPAC Name4-benzyl-7-chlorospiro[1,3-dihydroquinoxaline-2,4'-piperidine]
SMILESClc1ccc2c(c1)NC1(CCNCC1)CN2Cc1ccccc1
InChIInChI=1S/C19H22ClN3/c20-16-6-7-18-17(12-16)22-19(8-10-21-11-9-19)14-23(18)13-15-4-2-1-3-5-15/h1-7,12,21-22H,8-11,13-14H2
InChIKeyWYJSVBPBSLGNIU-UHFFFAOYSA-N
XLogP3.89
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-1,3,7-triazaspiro[4.4]nonan-2-one
CID 83894911
1-benzyl-5,6-dimethylspiro[2H-indole-3,4'-piperidine]
CID 83980538
2-benzyl-2,7-diazaspiro[3.5]nonan-3-one
CID 10421390
2-(1-benzyl-5-chloro-3-methyl-2H-indol-3-yl)acetonitrile
CID 102478900
1-benzyl-5-chloro-2,3-dihydroindole
CID 12733465
3-[(2-chloro-6-fluorophenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one
CID 82098639
1'-benzyl-5-chlorospiro[1H-indole-3,4'-piperidine]-2-one
CID 86180111
1-benzyl-3,4-dihydro-2H-quinoxaline-6-carboxylic acid
CID 117006991
1-benzyl-5-chloro-2,3-dihydroindol-3-amine
CID 45043255
1-benzylspiro[3,4-dihydro-2H-1-benzazepine-5,4'-piperidine]
CID 82626814
3-[(2-methylphenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one
CID 82098641
7-chlorospiro[1,3,4,5-tetrahydro-1,5-benzodiazepine-2,1'-cyclopropane]
CID 131001610

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-7-chlorospiro[1,3-dihydroquinoxaline-2,4'-piperidine]?
The IUPAC name of 4-benzyl-7-chlorospiro[1,3-dihydroquinoxaline-2,4'-piperidine] (CID 83515174) is 4-benzyl-7-chlorospiro[1,3-dihydroquinoxaline-2,4'-piperidine].
What is the SMILES notation for 4-benzyl-7-chlorospiro[1,3-dihydroquinoxaline-2,4'-piperidine]?
The canonical SMILES for 4-benzyl-7-chlorospiro[1,3-dihydroquinoxaline-2,4'-piperidine] is Clc1ccc2c(c1)NC1(CCNCC1)CN2Cc1ccccc1.
What is the InChIKey of 4-benzyl-7-chlorospiro[1,3-dihydroquinoxaline-2,4'-piperidine]?
The InChIKey is WYJSVBPBSLGNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3/c20-16-6-7-18-17(12-16)22-19(8-10-21-11-9-19)14-23(18)13-15-4-2-1-3-5-15/h1-7,12,21-22H,8-11,13-14H2.
What are the key properties of 4-benzyl-7-chlorospiro[1,3-dihydroquinoxaline-2,4'-piperidine]?
4-benzyl-7-chlorospiro[1,3-dihydroquinoxaline-2,4'-piperidine] has a molecular weight of 327.86 g/mol, XLogP of 3.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-7-chlorospiro[1,3-dihydroquinoxaline-2,4'-piperidine] is sourced from PubChem (CID 83515174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).