N-[[2-methoxy-5-(5-methyltetrazol-1-yl)phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]piperidin-3-amine

C22H25F3N6O — CID 22106569

IUPACN-[[2-methoxy-5-(5-methyltetrazol-1-yl)phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]piperidin-3-amine
SMILESCOc1ccc(-n2nnnc2C)cc1CNC1CCCNC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H25F3N6O/c1-14-28-29-30-31(14)18-9-10-20(32-2)16(12-18)13-27-19-4-3-11-26-21(19)15-5-7-17(8-6-15)22(23,24)25/h5-10,12,19,21,26-27H,3-4,11,13H2,1-2H3
InChIKeyVTQAGLLLZDEIIZ-UHFFFAOYSA-N
MW446.48 g/mol
LogP3.58
Rot. Bonds6

About N-[[2-methoxy-5-(5-methyltetrazol-1-yl)phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]piperidin-3-amine

N-[[2-methoxy-5-(5-methyltetrazol-1-yl)phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]piperidin-3-amine (PubChem CID 22106569) has the molecular formula C22H25F3N6O and a molecular weight of 446.48 g/mol. Its IUPAC name is N-[[2-methoxy-5-(5-methyltetrazol-1-yl)phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]piperidin-3-amine.

Molecular Properties

Compound NameN-[[2-methoxy-5-(5-methyltetrazol-1-yl)phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]piperidin-3-amine
PubChem CID22106569
Molecular FormulaC22H25F3N6O
Molecular Weight446.48 g/mol
Exact Mass446.20
IUPAC NameN-[[2-methoxy-5-(5-methyltetrazol-1-yl)phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]piperidin-3-amine
SMILESCOc1ccc(-n2nnnc2C)cc1CNC1CCCNC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H25F3N6O/c1-14-28-29-30-31(14)18-9-10-20(32-2)16(12-18)13-27-19-4-3-11-26-21(19)15-5-7-17(8-6-15)22(23,24)25/h5-10,12,19,21,26-27H,3-4,11,13H2,1-2H3
InChIKeyVTQAGLLLZDEIIZ-UHFFFAOYSA-N
XLogP3.58
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.48
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[2-methoxy-5-(5-methyltetrazol-1-yl)phenyl]methyl]-2-phenylpiperidin-3-amine;dihydrochloride
CID 22106584
2-(3,4-difluorophenyl)-N-[[2-methoxy-5-(5-methyltetrazol-1-yl)phenyl]methyl]piperidin-3-amine
CID 22106519
(2S,3S)-2-(3,4-difluorophenyl)-N-[[2-methoxy-5-(5-methyltetrazol-1-yl)phenyl]methyl]piperidin-3-amine
CID 67615665
(2R,3R)-2-(3,4-difluorophenyl)-N-[[2-methoxy-5-(5-methyltetrazol-1-yl)phenyl]methyl]piperidin-3-amine
CID 22880685
(5S,6S)-5-[[2-methoxy-5-(5-methyltetrazol-1-yl)phenyl]methylamino]-6-[4-(trifluoromethyl)phenyl]piperidin-2-one
CID 54019805
N-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-2-(4-methylphenyl)piperidin-3-amine
CID 21461222
5-[[2-methoxy-5-(5-methyltetrazol-1-yl)phenyl]methylamino]-6-[4-(trifluoromethyl)phenyl]piperidin-2-one
CID 22106596
N-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-2-(4-methylphenyl)piperidin-3-amine;dihydrochloride
CID 22106536
(2R,3R)-N-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-2-(4-methylphenyl)piperidin-3-amine;dihydrochloride
CID 22880725
(2S,3S)-N-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-2-(4-methylphenyl)piperidin-3-amine;dihydrochloride
CID 67617499
N-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-2-phenylpiperidin-3-amine;dihydrochloride
CID 3025910
(2S,3S)-N-[[2-methoxy-5-(5-methylsulfanyltetrazol-1-yl)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 22880695

Frequently Asked Questions

What is the IUPAC name of N-[[2-methoxy-5-(5-methyltetrazol-1-yl)phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]piperidin-3-amine?
The IUPAC name of N-[[2-methoxy-5-(5-methyltetrazol-1-yl)phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]piperidin-3-amine (CID 22106569) is N-[[2-methoxy-5-(5-methyltetrazol-1-yl)phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]piperidin-3-amine.
What is the SMILES notation for N-[[2-methoxy-5-(5-methyltetrazol-1-yl)phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]piperidin-3-amine?
The canonical SMILES for N-[[2-methoxy-5-(5-methyltetrazol-1-yl)phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]piperidin-3-amine is COc1ccc(-n2nnnc2C)cc1CNC1CCCNC1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[[2-methoxy-5-(5-methyltetrazol-1-yl)phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]piperidin-3-amine?
The InChIKey is VTQAGLLLZDEIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N6O/c1-14-28-29-30-31(14)18-9-10-20(32-2)16(12-18)13-27-19-4-3-11-26-21(19)15-5-7-17(8-6-15)22(23,24)25/h5-10,12,19,21,26-27H,3-4,11,13H2,1-2H3.
What are the key properties of N-[[2-methoxy-5-(5-methyltetrazol-1-yl)phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]piperidin-3-amine?
N-[[2-methoxy-5-(5-methyltetrazol-1-yl)phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]piperidin-3-amine has a molecular weight of 446.48 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methoxy-5-(5-methyltetrazol-1-yl)phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]piperidin-3-amine is sourced from PubChem (CID 22106569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).