4-[(1-cyclohexyltetrazol-5-yl)-(4-pyrrolidin-1-ylphenyl)methyl]morpholine

C22H32N6O — CID 648818

IUPAC4-[(1-cyclohexyltetrazol-5-yl)-(4-pyrrolidin-1-ylphenyl)methyl]morpholine
SMILESc1cc(N2CCCC2)ccc1C(c1nnnn1C1CCCCC1)N1CCOCC1
InChIInChI=1S/C22H32N6O/c1-2-6-20(7-3-1)28-22(23-24-25-28)21(27-14-16-29-17-15-27)18-8-10-19(11-9-18)26-12-4-5-13-26/h8-11,20-21H,1-7,12-17H2
InChIKeyFHSDHYWTCZJBET-UHFFFAOYSA-N
MW396.54 g/mol
LogP3.20
Rot. Bonds5

About 4-[(1-cyclohexyltetrazol-5-yl)-(4-pyrrolidin-1-ylphenyl)methyl]morpholine

4-[(1-cyclohexyltetrazol-5-yl)-(4-pyrrolidin-1-ylphenyl)methyl]morpholine (PubChem CID 648818) has the molecular formula C22H32N6O and a molecular weight of 396.54 g/mol. Its IUPAC name is 4-[(1-cyclohexyltetrazol-5-yl)-(4-pyrrolidin-1-ylphenyl)methyl]morpholine.

Molecular Properties

Compound Name4-[(1-cyclohexyltetrazol-5-yl)-(4-pyrrolidin-1-ylphenyl)methyl]morpholine
PubChem CID648818
Molecular FormulaC22H32N6O
Molecular Weight396.54 g/mol
Exact Mass396.26
IUPAC Name4-[(1-cyclohexyltetrazol-5-yl)-(4-pyrrolidin-1-ylphenyl)methyl]morpholine
SMILESc1cc(N2CCCC2)ccc1C(c1nnnn1C1CCCCC1)N1CCOCC1
InChIInChI=1S/C22H32N6O/c1-2-6-20(7-3-1)28-22(23-24-25-28)21(27-14-16-29-17-15-27)18-8-10-19(11-9-18)26-12-4-5-13-26/h8-11,20-21H,1-7,12-17H2
InChIKeyFHSDHYWTCZJBET-UHFFFAOYSA-N
XLogP3.20
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

1-((1-benzyl-1H-tetrazol-5-yl)(4-(4-methylpiperazin-1-yl)phenyl)methyl)-4-cyclobutyl-1,4-diazepane
CID 44159636
4-(4-((1-benzyl-1H-tetrazol-5-yl)(4-cyclobutyl-1,4-diazepan-1-yl)methyl)phenyl)morpholine
CID 44159519
(4-{(4-Cyclohexyl-piperazin-1-yl)-[1-(1,1-dimethyl-propyl)-1H-tetrazol-5-yl]-methyl}-phenyl)-dimethyl-amine
CID 646036
1-[1-(2-Methoxy-ethyl)-1H-tetrazol-5-ylmethyl]-4-(3-trifluoromethyl-phenyl)-piperazine
CID 646624
1-(2,3-Dimethyl-phenyl)-4-{phenyl-[1-(tetrahydro-furan-2-ylmethyl)-1H-tetrazol-5-yl]-methyl}-piperazine
CID 647989
4-[(1-tert-butyltetrazol-5-yl)-(4-methylpiperidin-1-yl)methyl]-N,N-dimethylaniline
CID 650290
1-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-3,4-dihydro-2H-quinoline
CID 651993
1-(2,3-Dimethyl-phenyl)-4-{[1-(tetrahydro-furan-2-ylmethyl)-1H-tetrazol-5-yl]-p-tolyl-methyl}-piperazine
CID 6603075
4-(1-{1-[3-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}cyclohexyl)morpholine
CID 3104507
4-[2-[4-[(1-Butyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]ethyl]morpholine
CID 53300970
4-[7-[(3-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazin-8-yl]-N,N-dimethylaniline
CID 118169448
4-[7-[(2-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazin-8-yl]-N,N-dimethylaniline
CID 118169545

Frequently Asked Questions

What is the IUPAC name of 4-[(1-cyclohexyltetrazol-5-yl)-(4-pyrrolidin-1-ylphenyl)methyl]morpholine?
The IUPAC name of 4-[(1-cyclohexyltetrazol-5-yl)-(4-pyrrolidin-1-ylphenyl)methyl]morpholine (CID 648818) is 4-[(1-cyclohexyltetrazol-5-yl)-(4-pyrrolidin-1-ylphenyl)methyl]morpholine.
What is the SMILES notation for 4-[(1-cyclohexyltetrazol-5-yl)-(4-pyrrolidin-1-ylphenyl)methyl]morpholine?
The canonical SMILES for 4-[(1-cyclohexyltetrazol-5-yl)-(4-pyrrolidin-1-ylphenyl)methyl]morpholine is c1cc(N2CCCC2)ccc1C(c1nnnn1C1CCCCC1)N1CCOCC1.
What is the InChIKey of 4-[(1-cyclohexyltetrazol-5-yl)-(4-pyrrolidin-1-ylphenyl)methyl]morpholine?
The InChIKey is FHSDHYWTCZJBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O/c1-2-6-20(7-3-1)28-22(23-24-25-28)21(27-14-16-29-17-15-27)18-8-10-19(11-9-18)26-12-4-5-13-26/h8-11,20-21H,1-7,12-17H2.
What are the key properties of 4-[(1-cyclohexyltetrazol-5-yl)-(4-pyrrolidin-1-ylphenyl)methyl]morpholine?
4-[(1-cyclohexyltetrazol-5-yl)-(4-pyrrolidin-1-ylphenyl)methyl]morpholine has a molecular weight of 396.54 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-cyclohexyltetrazol-5-yl)-(4-pyrrolidin-1-ylphenyl)methyl]morpholine is sourced from PubChem (CID 648818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).