1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidine-4-carboxylic acid;hydrochloride

C15H17ClF3N5O2 — CID 119906595

IUPAC1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidine-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCN(Cc2nnnn2-c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C15H16F3N5O2.ClH/c16-15(17,18)11-1-3-12(4-2-11)23-13(19-20-21-23)9-22-7-5-10(6-8-22)14(24)25;/h1-4,10H,5-9H2,(H,24,25);1H
InChIKeyBLTVDHDHESQKRZ-UHFFFAOYSA-N
MW391.78 g/mol
LogP2.40
Rot. Bonds4

About 1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidine-4-carboxylic acid;hydrochloride

1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidine-4-carboxylic acid;hydrochloride (PubChem CID 119906595) has the molecular formula C15H17ClF3N5O2 and a molecular weight of 391.78 g/mol. Its IUPAC name is 1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidine-4-carboxylic acid;hydrochloride
PubChem CID119906595
Molecular FormulaC15H17ClF3N5O2
Molecular Weight391.78 g/mol
Exact Mass391.10
IUPAC Name1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidine-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCN(Cc2nnnn2-c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C15H16F3N5O2.ClH/c16-15(17,18)11-1-3-12(4-2-11)23-13(19-20-21-23)9-22-7-5-10(6-8-22)14(24)25;/h1-4,10H,5-9H2,(H,24,25);1H
InChIKeyBLTVDHDHESQKRZ-UHFFFAOYSA-N
XLogP2.40
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.78
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidine-4-carboxylic acid;hydrochloride?
The IUPAC name of 1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidine-4-carboxylic acid;hydrochloride (CID 119906595) is 1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidine-4-carboxylic acid;hydrochloride is Cl.O=C(O)C1CCN(Cc2nnnn2-c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidine-4-carboxylic acid;hydrochloride?
The InChIKey is BLTVDHDHESQKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5O2.ClH/c16-15(17,18)11-1-3-12(4-2-11)23-13(19-20-21-23)9-22-7-5-10(6-8-22)14(24)25;/h1-4,10H,5-9H2,(H,24,25);1H.
What are the key properties of 1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidine-4-carboxylic acid;hydrochloride?
1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidine-4-carboxylic acid;hydrochloride has a molecular weight of 391.78 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 119906595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).