1-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-4-[4-(trifluoromethyl)phenyl]piperazine

C15H19F3N6 — CID 99828945

IUPAC1-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-4-[4-(trifluoromethyl)phenyl]piperazine
SMILESC[C@@H](c1nnnn1C)N1CCN(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C15H19F3N6/c1-11(14-19-20-21-22(14)2)23-7-9-24(10-8-23)13-5-3-12(4-6-13)15(16,17)18/h3-6,11H,7-10H2,1-2H3/t11-/m0/s1
InChIKeyRABXVQHLJZGJOB-NSHDSACASA-N
MW340.35 g/mol
LogP2.11
Rot. Bonds3

About 1-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-4-[4-(trifluoromethyl)phenyl]piperazine

1-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-4-[4-(trifluoromethyl)phenyl]piperazine (PubChem CID 99828945) has the molecular formula C15H19F3N6 and a molecular weight of 340.35 g/mol. Its IUPAC name is 1-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-4-[4-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-4-[4-(trifluoromethyl)phenyl]piperazine
PubChem CID99828945
Molecular FormulaC15H19F3N6
Molecular Weight340.35 g/mol
Exact Mass340.16
IUPAC Name1-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-4-[4-(trifluoromethyl)phenyl]piperazine
SMILESC[C@@H](c1nnnn1C)N1CCN(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C15H19F3N6/c1-11(14-19-20-21-22(14)2)23-7-9-24(10-8-23)13-5-3-12(4-6-13)15(16,17)18/h3-6,11H,7-10H2,1-2H3/t11-/m0/s1
InChIKeyRABXVQHLJZGJOB-NSHDSACASA-N
XLogP2.11
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1S)-1-(1-tert-butyltetrazol-5-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 1431296
1-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine
CID 124621833
N-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]-4-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 124847088
[4-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 100672915
1-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-4-phenylpiperidin-4-ol
CID 124621931
N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-4-phenylpiperazine-1-carboxamide
CID 124843892
1-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanol
CID 112627963
(2R)-2-amino-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one
CID 97341723
N-methyl-1-(1-methyltetrazol-5-yl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]ethanamine
CID 154807532
5-methyl-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine
CID 133405359
2-methyl-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine
CID 63339792
1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]-4-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 6602667

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-4-[4-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-4-[4-(trifluoromethyl)phenyl]piperazine (CID 99828945) is 1-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-4-[4-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-4-[4-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-4-[4-(trifluoromethyl)phenyl]piperazine is C[C@@H](c1nnnn1C)N1CCN(c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 1-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-4-[4-(trifluoromethyl)phenyl]piperazine?
The InChIKey is RABXVQHLJZGJOB-NSHDSACASA-N. The full InChI is InChI=1S/C15H19F3N6/c1-11(14-19-20-21-22(14)2)23-7-9-24(10-8-23)13-5-3-12(4-6-13)15(16,17)18/h3-6,11H,7-10H2,1-2H3/t11-/m0/s1.
What are the key properties of 1-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-4-[4-(trifluoromethyl)phenyl]piperazine?
1-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-4-[4-(trifluoromethyl)phenyl]piperazine has a molecular weight of 340.35 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-4-[4-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 99828945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).