1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-4-ol

C15H21N5O — CID 1454747

IUPAC1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-4-ol
SMILESOC1CCN(Cc2nnnn2CCc2ccccc2)CC1
InChIInChI=1S/C15H21N5O/c21-14-7-9-19(10-8-14)12-15-16-17-18-20(15)11-6-13-4-2-1-3-5-13/h1-5,14,21H,6-12H2
InChIKeyYBWSKKPESOPBHQ-UHFFFAOYSA-N
MW287.37 g/mol
LogP0.87
Rot. Bonds5

About 1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-4-ol

1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-4-ol (PubChem CID 1454747) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-4-ol
PubChem CID1454747
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-4-ol
SMILESOC1CCN(Cc2nnnn2CCc2ccccc2)CC1
InChIInChI=1S/C15H21N5O/c21-14-7-9-19(10-8-14)12-15-16-17-18-20(15)11-6-13-4-2-1-3-5-13/h1-5,14,21H,6-12H2
InChIKeyYBWSKKPESOPBHQ-UHFFFAOYSA-N
XLogP0.87
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]azepane
CID 1454749
1-[(1-benzyltetrazol-5-yl)methyl]pyrrolidin-3-ol
CID 62916150
2-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,4-dihydro-1H-isoquinoline
CID 858122
1-(2,3-dimethylphenyl)-4-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine
CID 4990315
1-(4-methoxyphenyl)-4-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine
CID 1449048
1-[(1-benzyltetrazol-5-yl)methyl]-4-methylpiperidin-3-ol
CID 103898432
1-benzyl-4-[[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]methyl]piperazine
CID 3210595
1-[[4-methyl-5-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
CID 126434317
1-[[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidin-4-ol
CID 3213464
1-[(1-benzyltetrazol-5-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine
CID 113267753
1-[(1-benzylimidazol-2-yl)methyl]piperidin-4-ol
CID 110887635
N-[1-[(1-propyltetrazol-5-yl)methyl]piperidin-4-yl]benzamide
CID 33107610

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-4-ol (CID 1454747) is 1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-4-ol is OC1CCN(Cc2nnnn2CCc2ccccc2)CC1.
What is the InChIKey of 1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-4-ol?
The InChIKey is YBWSKKPESOPBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c21-14-7-9-19(10-8-14)12-15-16-17-18-20(15)11-6-13-4-2-1-3-5-13/h1-5,14,21H,6-12H2.
What are the key properties of 1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-4-ol?
1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-4-ol has a molecular weight of 287.37 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 1454747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).