1-[(1-benzyltetrazol-5-yl)methyl]-4-(2-fluorophenyl)piperidin-4-ol

C20H22FN5O — CID 3228819

IUPAC1-[(1-benzyltetrazol-5-yl)methyl]-4-(2-fluorophenyl)piperidin-4-ol
SMILESOC1(c2ccccc2F)CCN(Cc2nnnn2Cc2ccccc2)CC1
InChIInChI=1S/C20H22FN5O/c21-18-9-5-4-8-17(18)20(27)10-12-25(13-11-20)15-19-22-23-24-26(19)14-16-6-2-1-3-7-16/h1-9,27H,10-15H2
InChIKeyIDYMRODLBBSTDQ-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.34
Rot. Bonds5

About 1-[(1-benzyltetrazol-5-yl)methyl]-4-(2-fluorophenyl)piperidin-4-ol

1-[(1-benzyltetrazol-5-yl)methyl]-4-(2-fluorophenyl)piperidin-4-ol (PubChem CID 3228819) has the molecular formula C20H22FN5O and a molecular weight of 367.43 g/mol. Its IUPAC name is 1-[(1-benzyltetrazol-5-yl)methyl]-4-(2-fluorophenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[(1-benzyltetrazol-5-yl)methyl]-4-(2-fluorophenyl)piperidin-4-ol
PubChem CID3228819
Molecular FormulaC20H22FN5O
Molecular Weight367.43 g/mol
Exact Mass367.18
IUPAC Name1-[(1-benzyltetrazol-5-yl)methyl]-4-(2-fluorophenyl)piperidin-4-ol
SMILESOC1(c2ccccc2F)CCN(Cc2nnnn2Cc2ccccc2)CC1
InChIInChI=1S/C20H22FN5O/c21-18-9-5-4-8-17(18)20(27)10-12-25(13-11-20)15-19-22-23-24-26(19)14-16-6-2-1-3-7-16/h1-9,27H,10-15H2
InChIKeyIDYMRODLBBSTDQ-UHFFFAOYSA-N
XLogP2.34
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4,7-bis[(1-benzyltetrazol-5-yl)methyl]-1,4,7-triazonane-1-carbaldehyde
CID 53310713
1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperidin-4-ol
CID 3228815
1-[(1-benzyltetrazol-5-yl)methyl]pyrrolidin-3-ol
CID 62916150
4-(2-fluorophenyl)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-4-ol
CID 16674054
1-[(1-benzyltetrazol-5-yl)methyl]-4-methylpiperidin-3-ol
CID 103898432
4-(2-fluorophenyl)-1-[[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methyl]piperidin-4-ol
CID 16676314
1-[(1-benzyltetrazol-5-yl)methyl]-4-(5-chloro-2-methylphenyl)piperazine
CID 1446129
1-[(1-benzyltetrazol-5-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine
CID 113267753
1-benzyl-4-(2-benzylphenyl)piperidin-4-ol;hydrochloride
CID 12563566
1-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]propan-2-one
CID 3228845
(2R,6R)-4-[(1-benzyltetrazol-5-yl)methyl]-2,6-dimethylmorpholine
CID 94017567
(2S,6R)-4-[(1-benzyltetrazol-5-yl)methyl]-2,6-dimethylmorpholine
CID 94017565

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzyltetrazol-5-yl)methyl]-4-(2-fluorophenyl)piperidin-4-ol?
The IUPAC name of 1-[(1-benzyltetrazol-5-yl)methyl]-4-(2-fluorophenyl)piperidin-4-ol (CID 3228819) is 1-[(1-benzyltetrazol-5-yl)methyl]-4-(2-fluorophenyl)piperidin-4-ol.
What is the SMILES notation for 1-[(1-benzyltetrazol-5-yl)methyl]-4-(2-fluorophenyl)piperidin-4-ol?
The canonical SMILES for 1-[(1-benzyltetrazol-5-yl)methyl]-4-(2-fluorophenyl)piperidin-4-ol is OC1(c2ccccc2F)CCN(Cc2nnnn2Cc2ccccc2)CC1.
What is the InChIKey of 1-[(1-benzyltetrazol-5-yl)methyl]-4-(2-fluorophenyl)piperidin-4-ol?
The InChIKey is IDYMRODLBBSTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O/c21-18-9-5-4-8-17(18)20(27)10-12-25(13-11-20)15-19-22-23-24-26(19)14-16-6-2-1-3-7-16/h1-9,27H,10-15H2.
What are the key properties of 1-[(1-benzyltetrazol-5-yl)methyl]-4-(2-fluorophenyl)piperidin-4-ol?
1-[(1-benzyltetrazol-5-yl)methyl]-4-(2-fluorophenyl)piperidin-4-ol has a molecular weight of 367.43 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzyltetrazol-5-yl)methyl]-4-(2-fluorophenyl)piperidin-4-ol is sourced from PubChem (CID 3228819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).