3-methyl-1-piperazin-1-yl-5aH-2-benzazepine

C15H19N3 — CID 143282700

IUPAC3-methyl-1-piperazin-1-yl-5aH-2-benzazepine
SMILESCC1=NC(N2CCNCC2)=C2C=CC=CC2C=C1
InChIInChI=1S/C15H19N3/c1-12-6-7-13-4-2-3-5-14(13)15(17-12)18-10-8-16-9-11-18/h2-7,13,16H,8-11H2,1H3
InChIKeyBXJRXLRRNFCPOL-UHFFFAOYSA-N
MW241.34 g/mol
LogP1.88
Rot. Bonds1

About 3-methyl-1-piperazin-1-yl-5aH-2-benzazepine

3-methyl-1-piperazin-1-yl-5aH-2-benzazepine (PubChem CID 143282700) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 3-methyl-1-piperazin-1-yl-5aH-2-benzazepine.

Molecular Properties

Compound Name3-methyl-1-piperazin-1-yl-5aH-2-benzazepine
PubChem CID143282700
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name3-methyl-1-piperazin-1-yl-5aH-2-benzazepine
SMILESCC1=NC(N2CCNCC2)=C2C=CC=CC2C=C1
InChIInChI=1S/C15H19N3/c1-12-6-7-13-4-2-3-5-14(13)15(17-12)18-10-8-16-9-11-18/h2-7,13,16H,8-11H2,1H3
InChIKeyBXJRXLRRNFCPOL-UHFFFAOYSA-N
XLogP1.88
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-Dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)piperazin-1-ium
CID 20672907
4-methyl-N-[(Z)-2-(methylideneamino)-2-(3-propan-2-ylpiperazin-1-yl)ethenyl]cyclohexa-2,4-dien-1-imine
CID 134172576
(4R)-3,4-dimethyl-2-piperazin-1-yl-4H-azepine
CID 143566763
4-piperazin-1-yl-7-propan-2-yl-2H-azepine
CID 155471327

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-piperazin-1-yl-5aH-2-benzazepine?
The IUPAC name of 3-methyl-1-piperazin-1-yl-5aH-2-benzazepine (CID 143282700) is 3-methyl-1-piperazin-1-yl-5aH-2-benzazepine.
What is the SMILES notation for 3-methyl-1-piperazin-1-yl-5aH-2-benzazepine?
The canonical SMILES for 3-methyl-1-piperazin-1-yl-5aH-2-benzazepine is CC1=NC(N2CCNCC2)=C2C=CC=CC2C=C1.
What is the InChIKey of 3-methyl-1-piperazin-1-yl-5aH-2-benzazepine?
The InChIKey is BXJRXLRRNFCPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-12-6-7-13-4-2-3-5-14(13)15(17-12)18-10-8-16-9-11-18/h2-7,13,16H,8-11H2,1H3.
What are the key properties of 3-methyl-1-piperazin-1-yl-5aH-2-benzazepine?
3-methyl-1-piperazin-1-yl-5aH-2-benzazepine has a molecular weight of 241.34 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-piperazin-1-yl-5aH-2-benzazepine is sourced from PubChem (CID 143282700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).