1-[(1-benzyltetrazol-5-yl)methyl]-4-methylpiperidin-3-ol

C15H21N5O — CID 103898432

IUPAC1-[(1-benzyltetrazol-5-yl)methyl]-4-methylpiperidin-3-ol
SMILESCC1CCN(Cc2nnnn2Cc2ccccc2)CC1O
InChIInChI=1S/C15H21N5O/c1-12-7-8-19(10-14(12)21)11-15-16-17-18-20(15)9-13-5-3-2-4-6-13/h2-6,12,14,21H,7-11H2,1H3
InChIKeyYKRASRYARMMFSY-UHFFFAOYSA-N
MW287.37 g/mol
LogP0.92
Rot. Bonds4

About 1-[(1-benzyltetrazol-5-yl)methyl]-4-methylpiperidin-3-ol

1-[(1-benzyltetrazol-5-yl)methyl]-4-methylpiperidin-3-ol (PubChem CID 103898432) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 1-[(1-benzyltetrazol-5-yl)methyl]-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[(1-benzyltetrazol-5-yl)methyl]-4-methylpiperidin-3-ol
PubChem CID103898432
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name1-[(1-benzyltetrazol-5-yl)methyl]-4-methylpiperidin-3-ol
SMILESCC1CCN(Cc2nnnn2Cc2ccccc2)CC1O
InChIInChI=1S/C15H21N5O/c1-12-7-8-19(10-14(12)21)11-15-16-17-18-20(15)9-13-5-3-2-4-6-13/h2-6,12,14,21H,7-11H2,1H3
InChIKeyYKRASRYARMMFSY-UHFFFAOYSA-N
XLogP0.92
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1-benzyltetrazol-5-yl)methyl]pyrrolidin-3-ol
CID 62916150
(3R)-1-[(1-benzyltetrazol-5-yl)methyl]-3-methylpiperazine
CID 104975221
1-[1-[(1-benzyltetrazol-5-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63264199
(2S,6R)-4-[(1-benzyltetrazol-5-yl)methyl]-2,6-dimethylmorpholine
CID 94017565
(2R,6R)-4-[(1-benzyltetrazol-5-yl)methyl]-2,6-dimethylmorpholine
CID 94017567
1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-4-ol
CID 1454747
1-benzyl-4-methylpiperidin-3-ol;methanesulfonic acid
CID 87886924
1-[(1-benzyltetrazol-5-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine
CID 113267753
4,7-bis[(1-benzyltetrazol-5-yl)methyl]-1,4,7-triazonane-1-carbaldehyde
CID 53310713
4-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 103898315
4-methyl-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-ol
CID 103898404
(1-benzyl-3-methylpiperidin-4-yl)methanol
CID 130927897

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzyltetrazol-5-yl)methyl]-4-methylpiperidin-3-ol?
The IUPAC name of 1-[(1-benzyltetrazol-5-yl)methyl]-4-methylpiperidin-3-ol (CID 103898432) is 1-[(1-benzyltetrazol-5-yl)methyl]-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-[(1-benzyltetrazol-5-yl)methyl]-4-methylpiperidin-3-ol?
The canonical SMILES for 1-[(1-benzyltetrazol-5-yl)methyl]-4-methylpiperidin-3-ol is CC1CCN(Cc2nnnn2Cc2ccccc2)CC1O.
What is the InChIKey of 1-[(1-benzyltetrazol-5-yl)methyl]-4-methylpiperidin-3-ol?
The InChIKey is YKRASRYARMMFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-12-7-8-19(10-14(12)21)11-15-16-17-18-20(15)9-13-5-3-2-4-6-13/h2-6,12,14,21H,7-11H2,1H3.
What are the key properties of 1-[(1-benzyltetrazol-5-yl)methyl]-4-methylpiperidin-3-ol?
1-[(1-benzyltetrazol-5-yl)methyl]-4-methylpiperidin-3-ol has a molecular weight of 287.37 g/mol, XLogP of 0.92, 4 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-methylpiperidin-3-ol is sourced from PubChem (CID 103898432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).