4-[2-[4-(2-methyltetrazol-5-yl)phenyl]-1-[4-(trifluoromethoxy)phenyl]ethyl]piperidine

C22H24F3N5O — CID 150627220

IUPAC4-[2-[4-(2-methyltetrazol-5-yl)phenyl]-1-[4-(trifluoromethoxy)phenyl]ethyl]piperidine
SMILESCn1nnc(-c2ccc(CC(c3ccc(OC(F)(F)F)cc3)C3CCNCC3)cc2)n1
InChIInChI=1S/C22H24F3N5O/c1-30-28-21(27-29-30)18-4-2-15(3-5-18)14-20(17-10-12-26-13-11-17)16-6-8-19(9-7-16)31-22(23,24)25/h2-9,17,20,26H,10-14H2,1H3
InChIKeyIXDKEGRLZLCOJQ-UHFFFAOYSA-N
MW431.46 g/mol
LogP4.10
Rot. Bonds6

About 4-[2-[4-(2-methyltetrazol-5-yl)phenyl]-1-[4-(trifluoromethoxy)phenyl]ethyl]piperidine

4-[2-[4-(2-methyltetrazol-5-yl)phenyl]-1-[4-(trifluoromethoxy)phenyl]ethyl]piperidine (PubChem CID 150627220) has the molecular formula C22H24F3N5O and a molecular weight of 431.46 g/mol. Its IUPAC name is 4-[2-[4-(2-methyltetrazol-5-yl)phenyl]-1-[4-(trifluoromethoxy)phenyl]ethyl]piperidine.

Molecular Properties

Compound Name4-[2-[4-(2-methyltetrazol-5-yl)phenyl]-1-[4-(trifluoromethoxy)phenyl]ethyl]piperidine
PubChem CID150627220
Molecular FormulaC22H24F3N5O
Molecular Weight431.46 g/mol
Exact Mass431.19
IUPAC Name4-[2-[4-(2-methyltetrazol-5-yl)phenyl]-1-[4-(trifluoromethoxy)phenyl]ethyl]piperidine
SMILESCn1nnc(-c2ccc(CC(c3ccc(OC(F)(F)F)cc3)C3CCNCC3)cc2)n1
InChIInChI=1S/C22H24F3N5O/c1-30-28-21(27-29-30)18-4-2-15(3-5-18)14-20(17-10-12-26-13-11-17)16-6-8-19(9-7-16)31-22(23,24)25/h2-9,17,20,26H,10-14H2,1H3
InChIKeyIXDKEGRLZLCOJQ-UHFFFAOYSA-N
XLogP4.10
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.46
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2-methyltetrazol-5-yl)phenyl]-1-[4-(trifluoromethoxy)phenyl]ethyl]piperidine?
The IUPAC name of 4-[2-[4-(2-methyltetrazol-5-yl)phenyl]-1-[4-(trifluoromethoxy)phenyl]ethyl]piperidine (CID 150627220) is 4-[2-[4-(2-methyltetrazol-5-yl)phenyl]-1-[4-(trifluoromethoxy)phenyl]ethyl]piperidine.
What is the SMILES notation for 4-[2-[4-(2-methyltetrazol-5-yl)phenyl]-1-[4-(trifluoromethoxy)phenyl]ethyl]piperidine?
The canonical SMILES for 4-[2-[4-(2-methyltetrazol-5-yl)phenyl]-1-[4-(trifluoromethoxy)phenyl]ethyl]piperidine is Cn1nnc(-c2ccc(CC(c3ccc(OC(F)(F)F)cc3)C3CCNCC3)cc2)n1.
What is the InChIKey of 4-[2-[4-(2-methyltetrazol-5-yl)phenyl]-1-[4-(trifluoromethoxy)phenyl]ethyl]piperidine?
The InChIKey is IXDKEGRLZLCOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N5O/c1-30-28-21(27-29-30)18-4-2-15(3-5-18)14-20(17-10-12-26-13-11-17)16-6-8-19(9-7-16)31-22(23,24)25/h2-9,17,20,26H,10-14H2,1H3.
What are the key properties of 4-[2-[4-(2-methyltetrazol-5-yl)phenyl]-1-[4-(trifluoromethoxy)phenyl]ethyl]piperidine?
4-[2-[4-(2-methyltetrazol-5-yl)phenyl]-1-[4-(trifluoromethoxy)phenyl]ethyl]piperidine has a molecular weight of 431.46 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2-methyltetrazol-5-yl)phenyl]-1-[4-(trifluoromethoxy)phenyl]ethyl]piperidine is sourced from PubChem (CID 150627220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).