5-methyl-2-piperidin-4-yl-3H-azepine

C12H18N2 — CID 142941013

IUPAC5-methyl-2-piperidin-4-yl-3H-azepine
SMILESCC1=CCC(C2CCNCC2)=NC=C1
InChIInChI=1S/C12H18N2/c1-10-2-3-12(14-9-4-10)11-5-7-13-8-6-11/h2,4,9,11,13H,3,5-8H2,1H3
InChIKeyOHRQDMLZDDDEKH-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.29
Rot. Bonds1

About 5-methyl-2-piperidin-4-yl-3H-azepine

5-methyl-2-piperidin-4-yl-3H-azepine (PubChem CID 142941013) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 5-methyl-2-piperidin-4-yl-3H-azepine.

Molecular Properties

Compound Name5-methyl-2-piperidin-4-yl-3H-azepine
PubChem CID142941013
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name5-methyl-2-piperidin-4-yl-3H-azepine
SMILESCC1=CCC(C2CCNCC2)=NC=C1
InChIInChI=1S/C12H18N2/c1-10-2-3-12(14-9-4-10)11-5-7-13-8-6-11/h2,4,9,11,13H,3,5-8H2,1H3
InChIKeyOHRQDMLZDDDEKH-UHFFFAOYSA-N
XLogP2.29
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Hexahydroazepinoindole
CID 66689195
Spiro[1-benzazepine-4,3'-piperidine]
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Spiro[1-benzazepine-4,2'-piperidine]
CID 67456831
2-(1H-azepin-2-yl)cyclohexan-1-imine
CID 67761454
2-(1H-azepin-2-yl)cyclohexan-1-imine;hydrochloride
CID 70346118
2,3,4,4a,4b,5-hexahydro-1H-pyrido[3,4-b]indole
CID 90212284
4-[(1Z)-buta-1,3-dienyl]-1,3-dimethyl-2,8-diazaspiro[4.5]deca-1,3-diene
CID 91342279
7-ethyl-5-(2-piperidin-4-ylethyl)-4H-azepine
CID 123370701
7-methyl-5-(1,2,3,6-tetrahydropyridin-4-yl)-4H-azepine
CID 123690321
(5Z)-7-piperidin-3-ylocta-5,7-dien-4-imine
CID 123845307
5-methyl-4-[(Z)-2-(methylamino)ethenyl]iminocyclohexen-1-amine
CID 129311820
1-(3,4-dimethyl-2,3-dihydro-1H-azepin-2-yl)ethanimine
CID 132004014

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-piperidin-4-yl-3H-azepine?
The IUPAC name of 5-methyl-2-piperidin-4-yl-3H-azepine (CID 142941013) is 5-methyl-2-piperidin-4-yl-3H-azepine.
What is the SMILES notation for 5-methyl-2-piperidin-4-yl-3H-azepine?
The canonical SMILES for 5-methyl-2-piperidin-4-yl-3H-azepine is CC1=CCC(C2CCNCC2)=NC=C1.
What is the InChIKey of 5-methyl-2-piperidin-4-yl-3H-azepine?
The InChIKey is OHRQDMLZDDDEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-10-2-3-12(14-9-4-10)11-5-7-13-8-6-11/h2,4,9,11,13H,3,5-8H2,1H3.
What are the key properties of 5-methyl-2-piperidin-4-yl-3H-azepine?
5-methyl-2-piperidin-4-yl-3H-azepine has a molecular weight of 190.29 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-piperidin-4-yl-3H-azepine is sourced from PubChem (CID 142941013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).