1-cyclopropyl-4-(piperidin-3-ylmethyl)-2,3-dihydroquinoxaline

C17H25N3 — CID 120849285

IUPAC1-cyclopropyl-4-(piperidin-3-ylmethyl)-2,3-dihydroquinoxaline
SMILESc1ccc2c(c1)N(CC1CCCNC1)CCN2C1CC1
InChIInChI=1S/C17H25N3/c1-2-6-17-16(5-1)19(10-11-20(17)15-7-8-15)13-14-4-3-9-18-12-14/h1-2,5-6,14-15,18H,3-4,7-13H2
InChIKeyOJKCRKMLDLJXPE-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.47
Rot. Bonds3

About 1-cyclopropyl-4-(piperidin-3-ylmethyl)-2,3-dihydroquinoxaline

1-cyclopropyl-4-(piperidin-3-ylmethyl)-2,3-dihydroquinoxaline (PubChem CID 120849285) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 1-cyclopropyl-4-(piperidin-3-ylmethyl)-2,3-dihydroquinoxaline.

Molecular Properties

Compound Name1-cyclopropyl-4-(piperidin-3-ylmethyl)-2,3-dihydroquinoxaline
PubChem CID120849285
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name1-cyclopropyl-4-(piperidin-3-ylmethyl)-2,3-dihydroquinoxaline
SMILESc1ccc2c(c1)N(CC1CCCNC1)CCN2C1CC1
InChIInChI=1S/C17H25N3/c1-2-6-17-16(5-1)19(10-11-20(17)15-7-8-15)13-14-4-3-9-18-12-14/h1-2,5-6,14-15,18H,3-4,7-13H2
InChIKeyOJKCRKMLDLJXPE-UHFFFAOYSA-N
XLogP2.47
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(piperidin-3-ylmethyl)-3,4-dihydro-2H-quinoline
CID 63524793
2-(piperidin-3-ylmethyl)-1,3-dihydroisoindole
CID 62205557
2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 24703662
3-[[(3R)-piperidin-3-yl]methyl]-1,4-dihydroquinazolin-2-one
CID 97169092
2-(piperidin-3-ylmethyl)-4,5-dihydro-3H-2-benzazepin-1-one
CID 104525998
2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline;dihydrochloride
CID 53408753
10-(piperidin-3-ylmethyl)phenothiazine;hydrochloride
CID 146675496
1-[2-[(3S)-piperidin-3-yl]ethyl]-3,4-dihydro-2H-quinoline
CID 86323488
1-(2-piperidin-3-ylethyl)-2,3-dihydroindole;dihydrochloride
CID 53408240
1-cyclopropyl-6-fluoro-4-(piperidin-4-ylmethyl)-2,3-dihydroquinoxaline;hydrochloride
CID 120856024
4-(2-bromophenyl)-1-(piperidin-3-ylmethyl)imidazolidin-2-one
CID 116979173
3-[[3-(2,6-difluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride
CID 120849667

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-(piperidin-3-ylmethyl)-2,3-dihydroquinoxaline?
The IUPAC name of 1-cyclopropyl-4-(piperidin-3-ylmethyl)-2,3-dihydroquinoxaline (CID 120849285) is 1-cyclopropyl-4-(piperidin-3-ylmethyl)-2,3-dihydroquinoxaline.
What is the SMILES notation for 1-cyclopropyl-4-(piperidin-3-ylmethyl)-2,3-dihydroquinoxaline?
The canonical SMILES for 1-cyclopropyl-4-(piperidin-3-ylmethyl)-2,3-dihydroquinoxaline is c1ccc2c(c1)N(CC1CCCNC1)CCN2C1CC1.
What is the InChIKey of 1-cyclopropyl-4-(piperidin-3-ylmethyl)-2,3-dihydroquinoxaline?
The InChIKey is OJKCRKMLDLJXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-2-6-17-16(5-1)19(10-11-20(17)15-7-8-15)13-14-4-3-9-18-12-14/h1-2,5-6,14-15,18H,3-4,7-13H2.
What are the key properties of 1-cyclopropyl-4-(piperidin-3-ylmethyl)-2,3-dihydroquinoxaline?
1-cyclopropyl-4-(piperidin-3-ylmethyl)-2,3-dihydroquinoxaline has a molecular weight of 271.41 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-(piperidin-3-ylmethyl)-2,3-dihydroquinoxaline is sourced from PubChem (CID 120849285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).