4-[1-(1-benzhydryltetrazol-5-yl)cyclopentyl]morpholine

C23H27N5O — CID 4255378

IUPAC4-[1-(1-benzhydryltetrazol-5-yl)cyclopentyl]morpholine
SMILESc1ccc(C(c2ccccc2)n2nnnc2C2(N3CCOCC3)CCCC2)cc1
InChIInChI=1S/C23H27N5O/c1-3-9-19(10-4-1)21(20-11-5-2-6-12-20)28-22(24-25-26-28)23(13-7-8-14-23)27-15-17-29-18-16-27/h1-6,9-12,21H,7-8,13-18H2
InChIKeyJGMXSAPEQXNANI-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.41
Rot. Bonds5

About 4-[1-(1-benzhydryltetrazol-5-yl)cyclopentyl]morpholine

4-[1-(1-benzhydryltetrazol-5-yl)cyclopentyl]morpholine (PubChem CID 4255378) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 4-[1-(1-benzhydryltetrazol-5-yl)cyclopentyl]morpholine.

Molecular Properties

Compound Name4-[1-(1-benzhydryltetrazol-5-yl)cyclopentyl]morpholine
PubChem CID4255378
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name4-[1-(1-benzhydryltetrazol-5-yl)cyclopentyl]morpholine
SMILESc1ccc(C(c2ccccc2)n2nnnc2C2(N3CCOCC3)CCCC2)cc1
InChIInChI=1S/C23H27N5O/c1-3-9-19(10-4-1)21(20-11-5-2-6-12-20)28-22(24-25-26-28)23(13-7-8-14-23)27-15-17-29-18-16-27/h1-6,9-12,21H,7-8,13-18H2
InChIKeyJGMXSAPEQXNANI-UHFFFAOYSA-N
XLogP3.41
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-4-[5-(1-morpholin-4-ylcyclohexyl)tetrazol-1-yl]benzamide
CID 171329127
4-[1-[1-(2-methyl-4-nitrophenyl)tetrazol-5-yl]cyclopentyl]morpholine
CID 56696988
N-methyl-1-(1-morpholin-4-ylcyclopentyl)-1-phenylmethanamine
CID 79066704
4-[4-tert-butyl-1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]morpholine
CID 50812567
4-[1-(2-phenylethynyl)cycloheptyl]morpholine
CID 3501572
molecular hydrogen;2-[5-(1-morpholin-4-ylcycloheptyl)tetrazol-1-yl]ethyl acetate
CID 143885734
4-[1-(4-methylphenyl)cyclohexyl]morpholine;hydrochloride
CID 51350060
4-[phenyl(pyridin-3-yl)methyl]morpholine
CID 132574107
1-benzhydryl-5-(1-chloroethyl)tetrazole
CID 103084363
2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]-N-propan-2-ylacetamide
CID 86285524
[(S)-(1-benzhydryltetrazol-5-yl)-phenylmethyl]-dimethylazanium
CID 7154844
2-[morpholin-4-yl(phenyl)methyl]aniline
CID 160604739

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-benzhydryltetrazol-5-yl)cyclopentyl]morpholine?
The IUPAC name of 4-[1-(1-benzhydryltetrazol-5-yl)cyclopentyl]morpholine (CID 4255378) is 4-[1-(1-benzhydryltetrazol-5-yl)cyclopentyl]morpholine.
What is the SMILES notation for 4-[1-(1-benzhydryltetrazol-5-yl)cyclopentyl]morpholine?
The canonical SMILES for 4-[1-(1-benzhydryltetrazol-5-yl)cyclopentyl]morpholine is c1ccc(C(c2ccccc2)n2nnnc2C2(N3CCOCC3)CCCC2)cc1.
What is the InChIKey of 4-[1-(1-benzhydryltetrazol-5-yl)cyclopentyl]morpholine?
The InChIKey is JGMXSAPEQXNANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-3-9-19(10-4-1)21(20-11-5-2-6-12-20)28-22(24-25-26-28)23(13-7-8-14-23)27-15-17-29-18-16-27/h1-6,9-12,21H,7-8,13-18H2.
What are the key properties of 4-[1-(1-benzhydryltetrazol-5-yl)cyclopentyl]morpholine?
4-[1-(1-benzhydryltetrazol-5-yl)cyclopentyl]morpholine has a molecular weight of 389.50 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-benzhydryltetrazol-5-yl)cyclopentyl]morpholine is sourced from PubChem (CID 4255378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).