4-[(S)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]phenol

C21H24FN5O — CID 1433520

IUPAC4-[(S)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]phenol
SMILESCC1CCN([C@@H](c2ccc(O)cc2)c2nnnn2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C21H24FN5O/c1-15-10-12-26(13-11-15)20(17-4-8-19(28)9-5-17)21-23-24-25-27(21)14-16-2-6-18(22)7-3-16/h2-9,15,20,28H,10-14H2,1H3/t20-/m0/s1
InChIKeyYEKZGWLXIQIJDY-FQEVSTJZSA-N
MW381.46 g/mol
LogP3.39
Rot. Bonds5

About 4-[(S)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]phenol

4-[(S)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]phenol (PubChem CID 1433520) has the molecular formula C21H24FN5O and a molecular weight of 381.46 g/mol. Its IUPAC name is 4-[(S)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(S)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]phenol
PubChem CID1433520
Molecular FormulaC21H24FN5O
Molecular Weight381.46 g/mol
Exact Mass381.20
IUPAC Name4-[(S)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]phenol
SMILESCC1CCN([C@@H](c2ccc(O)cc2)c2nnnn2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C21H24FN5O/c1-15-10-12-26(13-11-15)20(17-4-8-19(28)9-5-17)21-23-24-25-27(21)14-16-2-6-18(22)7-3-16/h2-9,15,20,28H,10-14H2,1H3/t20-/m0/s1
InChIKeyYEKZGWLXIQIJDY-FQEVSTJZSA-N
XLogP3.39
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(S)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]phenol?
The IUPAC name of 4-[(S)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]phenol (CID 1433520) is 4-[(S)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]phenol.
What is the SMILES notation for 4-[(S)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]phenol?
The canonical SMILES for 4-[(S)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]phenol is CC1CCN([C@@H](c2ccc(O)cc2)c2nnnn2Cc2ccc(F)cc2)CC1.
What is the InChIKey of 4-[(S)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]phenol?
The InChIKey is YEKZGWLXIQIJDY-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H24FN5O/c1-15-10-12-26(13-11-15)20(17-4-8-19(28)9-5-17)21-23-24-25-27(21)14-16-2-6-18(22)7-3-16/h2-9,15,20,28H,10-14H2,1H3/t20-/m0/s1.
What are the key properties of 4-[(S)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]phenol?
4-[(S)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]phenol has a molecular weight of 381.46 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(S)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]phenol is sourced from PubChem (CID 1433520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).