1-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-3-phenylpiperidin-4-amine;hydrochloride

C21H24ClF3N6O — CID 69060465

IUPAC1-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-3-phenylpiperidin-4-amine;hydrochloride
SMILESCOc1ccc(-n2nnnc2C(F)(F)F)cc1CN1CCC(N)C(c2ccccc2)C1.Cl
InChIInChI=1S/C21H23F3N6O.ClH/c1-31-19-8-7-16(30-20(21(22,23)24)26-27-28-30)11-15(19)12-29-10-9-18(25)17(13-29)14-5-3-2-4-6-14;/h2-8,11,17-18H,9-10,12-13,25H2,1H3;1H
InChIKeyOTFVYALXZMYKBJ-UHFFFAOYSA-N
MW468.91 g/mol
LogP3.43
Rot. Bonds5

About 1-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-3-phenylpiperidin-4-amine;hydrochloride

1-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-3-phenylpiperidin-4-amine;hydrochloride (PubChem CID 69060465) has the molecular formula C21H24ClF3N6O and a molecular weight of 468.91 g/mol. Its IUPAC name is 1-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-3-phenylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-3-phenylpiperidin-4-amine;hydrochloride
PubChem CID69060465
Molecular FormulaC21H24ClF3N6O
Molecular Weight468.91 g/mol
Exact Mass468.17
IUPAC Name1-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-3-phenylpiperidin-4-amine;hydrochloride
SMILESCOc1ccc(-n2nnnc2C(F)(F)F)cc1CN1CCC(N)C(c2ccccc2)C1.Cl
InChIInChI=1S/C21H23F3N6O.ClH/c1-31-19-8-7-16(30-20(21(22,23)24)26-27-28-30)11-15(19)12-29-10-9-18(25)17(13-29)14-5-3-2-4-6-14;/h2-8,11,17-18H,9-10,12-13,25H2,1H3;1H
InChIKeyOTFVYALXZMYKBJ-UHFFFAOYSA-N
XLogP3.43
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.91
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-3-phenylpiperidin-4-amine;hydrochloride with MolForge

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Related Compounds

methane;1-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-2-phenylpiperidin-3-amine;hydrochloride
CID 160670068
(4R,8R,8aR)-4-benzhydryl-2-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-8-amine
CID 18346137
ethane;(3R,4S)-N-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-1-methyl-3-phenylpiperidin-4-amine
CID 143317707
5-benzhydryl-1-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-3,3-dimethylpiperazine;dihydrochloride
CID 22674631
N-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-2-phenylpiperidin-3-amine;dihydrochloride
CID 3025910
2-benzhydryl-4-[[2-ethoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-1-methylpiperazine;dihydrochloride
CID 22674687
7-benzhydryl-9-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-6,9-diazaspiro[4.5]decane
CID 22674779
(8aS)-4-benzhydryl-2-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol;dihydrochloride
CID 70020328
(2S,3S)-1-[[2-(2-fluoroethoxy)-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-2-phenylpiperidin-3-amine
CID 90820898
N-[2-[4-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methylamino]-3-phenylpiperidin-1-yl]-2-oxoethyl]-N-methylformamide;hydrochloride
CID 87914427
N-[4-[(3R,4S)-4-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methylamino]-3-phenylpiperidin-1-yl]-4-oxobutyl]acetamide;hydrochloride
CID 57395694
2-[(4R,9aS)-4-benzhydryl-2-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl]-N,N-dimethylacetamide;trihydrochloride
CID 173229451

Frequently Asked Questions

What is the IUPAC name of 1-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-3-phenylpiperidin-4-amine;hydrochloride?
The IUPAC name of 1-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-3-phenylpiperidin-4-amine;hydrochloride (CID 69060465) is 1-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-3-phenylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-3-phenylpiperidin-4-amine;hydrochloride?
The canonical SMILES for 1-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-3-phenylpiperidin-4-amine;hydrochloride is COc1ccc(-n2nnnc2C(F)(F)F)cc1CN1CCC(N)C(c2ccccc2)C1.Cl.
What is the InChIKey of 1-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-3-phenylpiperidin-4-amine;hydrochloride?
The InChIKey is OTFVYALXZMYKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N6O.ClH/c1-31-19-8-7-16(30-20(21(22,23)24)26-27-28-30)11-15(19)12-29-10-9-18(25)17(13-29)14-5-3-2-4-6-14;/h2-8,11,17-18H,9-10,12-13,25H2,1H3;1H.
What are the key properties of 1-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-3-phenylpiperidin-4-amine;hydrochloride?
1-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-3-phenylpiperidin-4-amine;hydrochloride has a molecular weight of 468.91 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-3-phenylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 69060465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).