1-(1-benzhydrylazetidin-3-yl)-4-methylpiperazine;ethane

C23H33N3 — CID 90779796

IUPAC1-(1-benzhydrylazetidin-3-yl)-4-methylpiperazine;ethane
SMILESCC.CN1CCN(C2CN(C(c3ccccc3)c3ccccc3)C2)CC1
InChIInChI=1S/C21H27N3.C2H6/c1-22-12-14-23(15-13-22)20-16-24(17-20)21(18-8-4-2-5-9-18)19-10-6-3-7-11-19;1-2/h2-11,20-21H,12-17H2,1H3;1-2H3
InChIKeySCGMDAVNRHDOKJ-UHFFFAOYSA-N
MW351.54 g/mol
LogP3.73
Rot. Bonds4

About 1-(1-benzhydrylazetidin-3-yl)-4-methylpiperazine;ethane

1-(1-benzhydrylazetidin-3-yl)-4-methylpiperazine;ethane (PubChem CID 90779796) has the molecular formula C23H33N3 and a molecular weight of 351.54 g/mol. Its IUPAC name is 1-(1-benzhydrylazetidin-3-yl)-4-methylpiperazine;ethane.

Molecular Properties

Compound Name1-(1-benzhydrylazetidin-3-yl)-4-methylpiperazine;ethane
PubChem CID90779796
Molecular FormulaC23H33N3
Molecular Weight351.54 g/mol
Exact Mass351.27
IUPAC Name1-(1-benzhydrylazetidin-3-yl)-4-methylpiperazine;ethane
SMILESCC.CN1CCN(C2CN(C(c3ccccc3)c3ccccc3)C2)CC1
InChIInChI=1S/C21H27N3.C2H6/c1-22-12-14-23(15-13-22)20-16-24(17-20)21(18-8-4-2-5-9-18)19-10-6-3-7-11-19;1-2/h2-11,20-21H,12-17H2,1H3;1-2H3
InChIKeySCGMDAVNRHDOKJ-UHFFFAOYSA-N
XLogP3.73
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.54
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzhydrylazetidin-3-yl)-4-methylsulfonylpiperazine
CID 21183788
1-(1-benzhydrylazetidin-3-yl)-4-fluoropiperidine
CID 21184137
1-benzhydryl-4-methylpiperazine
CID 6726
1-(1-benzhydrylazetidin-3-yl)pyrrolidine;pyrrolidine
CID 160596088
4-(1-benzhydrylazetidin-3-yl)-1,4-thiazinane 1,1-dioxide;1,4-thiazinane 1,1-dioxide
CID 159994919
(9aR)-2-(2,2-diphenylethyl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine
CID 124814478
1-[(4-fluorophenyl)-phenylmethyl]-4-methylpiperazine
CID 67474730
2-(1-benzhydrylazetidin-3-yl)-N,N-dimethyl-3,4-dihydro-1H-isoquinolin-6-amine
CID 164880589
(3S,4S,5S,6S)-1-benzhydrylazepane-3,4,5,6-tetrol
CID 10568359
1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane
CID 5393145
tert-butyl N-[[1-(1-benzhydrylazetidin-3-yl)piperidin-4-yl]methyl]carbamate
CID 91581752
2-(1-benzhydrylazetidin-3-yl)-N-propyl-3,4-dihydro-1H-isoquinolin-6-amine
CID 164880742

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzhydrylazetidin-3-yl)-4-methylpiperazine;ethane?
The IUPAC name of 1-(1-benzhydrylazetidin-3-yl)-4-methylpiperazine;ethane (CID 90779796) is 1-(1-benzhydrylazetidin-3-yl)-4-methylpiperazine;ethane.
What is the SMILES notation for 1-(1-benzhydrylazetidin-3-yl)-4-methylpiperazine;ethane?
The canonical SMILES for 1-(1-benzhydrylazetidin-3-yl)-4-methylpiperazine;ethane is CC.CN1CCN(C2CN(C(c3ccccc3)c3ccccc3)C2)CC1.
What is the InChIKey of 1-(1-benzhydrylazetidin-3-yl)-4-methylpiperazine;ethane?
The InChIKey is SCGMDAVNRHDOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3.C2H6/c1-22-12-14-23(15-13-22)20-16-24(17-20)21(18-8-4-2-5-9-18)19-10-6-3-7-11-19;1-2/h2-11,20-21H,12-17H2,1H3;1-2H3.
What are the key properties of 1-(1-benzhydrylazetidin-3-yl)-4-methylpiperazine;ethane?
1-(1-benzhydrylazetidin-3-yl)-4-methylpiperazine;ethane has a molecular weight of 351.54 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzhydrylazetidin-3-yl)-4-methylpiperazine;ethane is sourced from PubChem (CID 90779796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).