(3R)-1-[(1-methyltetrazol-5-yl)methyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine

C12H16F3N7 — CID 100670358

IUPAC(3R)-1-[(1-methyltetrazol-5-yl)methyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
SMILESCn1nnnc1CN1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1
InChIInChI=1S/C12H16F3N7/c1-21-10(18-19-20-21)7-22-4-2-3-8(6-22)11-16-5-9(17-11)12(13,14)15/h5,8H,2-4,6-7H2,1H3,(H,16,17)/t8-/m1/s1
InChIKeyYAEBATXLEZEPKI-MRVPVSSYSA-N
MW315.30 g/mol
LogP1.33
Rot. Bonds3

About (3R)-1-[(1-methyltetrazol-5-yl)methyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine

(3R)-1-[(1-methyltetrazol-5-yl)methyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine (PubChem CID 100670358) has the molecular formula C12H16F3N7 and a molecular weight of 315.30 g/mol. Its IUPAC name is (3R)-1-[(1-methyltetrazol-5-yl)methyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine.

Molecular Properties

Compound Name(3R)-1-[(1-methyltetrazol-5-yl)methyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
PubChem CID100670358
Molecular FormulaC12H16F3N7
Molecular Weight315.30 g/mol
Exact Mass315.14
IUPAC Name(3R)-1-[(1-methyltetrazol-5-yl)methyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
SMILESCn1nnnc1CN1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1
InChIInChI=1S/C12H16F3N7/c1-21-10(18-19-20-21)7-22-4-2-3-8(6-22)11-16-5-9(17-11)12(13,14)15/h5,8H,2-4,6-7H2,1H3,(H,16,17)/t8-/m1/s1
InChIKeyYAEBATXLEZEPKI-MRVPVSSYSA-N
XLogP1.33
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
CID 43650966
1-(3-piperidin-1-ylpropyl)-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
CID 86803437
1-[(2-butyl-1H-imidazol-4-yl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)piperidine
CID 129623994
4-(4-Trifluoromethyl-1-(2-(pyrrolidin-1-yl)ethyl)-1H-imidazol-2-yl)piperidine
CID 67113455
1-methyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
CID 118303263
1-propan-2-yl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
CID 129227665
Ethane;4-[1-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)imidazol-2-yl]piperidine
CID 144176046
2-(3-methylbutyl)-5-(trifluoromethyl)-1H-imidazole
CID 176693965
2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pentan-1-amine
CID 65231047
2-propan-2-yl-5-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-1,3,4-thiadiazole
CID 71913734
4-methyl-2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pentan-1-amine
CID 80113390
2-(1H-imidazol-5-yl)-1-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanamine
CID 81253748

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(1-methyltetrazol-5-yl)methyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine?
The IUPAC name of (3R)-1-[(1-methyltetrazol-5-yl)methyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine (CID 100670358) is (3R)-1-[(1-methyltetrazol-5-yl)methyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine.
What is the SMILES notation for (3R)-1-[(1-methyltetrazol-5-yl)methyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine?
The canonical SMILES for (3R)-1-[(1-methyltetrazol-5-yl)methyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine is Cn1nnnc1CN1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1.
What is the InChIKey of (3R)-1-[(1-methyltetrazol-5-yl)methyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine?
The InChIKey is YAEBATXLEZEPKI-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H16F3N7/c1-21-10(18-19-20-21)7-22-4-2-3-8(6-22)11-16-5-9(17-11)12(13,14)15/h5,8H,2-4,6-7H2,1H3,(H,16,17)/t8-/m1/s1.
What are the key properties of (3R)-1-[(1-methyltetrazol-5-yl)methyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine?
(3R)-1-[(1-methyltetrazol-5-yl)methyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine has a molecular weight of 315.30 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(1-methyltetrazol-5-yl)methyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine is sourced from PubChem (CID 100670358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).