1-[2-(hydroxymethyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone

C9H15N5O2 — CID 43421717

IUPAC1-[2-(hydroxymethyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone
SMILESO=C(Cn1cnnn1)N1CCCCC1CO
InChIInChI=1S/C9H15N5O2/c15-6-8-3-1-2-4-14(8)9(16)5-13-7-10-11-12-13/h7-8,15H,1-6H2
InChIKeyMCALHDSBBOOHBB-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.95
Rot. Bonds3

About 1-[2-(hydroxymethyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone

1-[2-(hydroxymethyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone (PubChem CID 43421717) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone
PubChem CID43421717
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name1-[2-(hydroxymethyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone
SMILESO=C(Cn1cnnn1)N1CCCCC1CO
InChIInChI=1S/C9H15N5O2/c15-6-8-3-1-2-4-14(8)9(16)5-13-7-10-11-12-13/h7-8,15H,1-6H2
InChIKeyMCALHDSBBOOHBB-UHFFFAOYSA-N
XLogP-0.95
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-(triazol-1-yl)ethanone
CID 115348314
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 61410629
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 66260539
methyl 1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylate
CID 43410266
N-[1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]triazol-4-yl]propanamide
CID 112531894
1-[2-(hydroxymethyl)azepan-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 116635996
tert-butyl (2S)-1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylate
CID 81003736
2-[(3S)-4-[2-(tetrazol-1-yl)acetyl]morpholin-3-yl]acetic acid
CID 95714732
1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 92576442
1-[(2R)-2-ethylpiperidin-1-yl]-2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanone
CID 94249392
1-[2-(hydroxymethyl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 43421122
2-chloro-1-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116634371

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone?
The IUPAC name of 1-[2-(hydroxymethyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone (CID 43421717) is 1-[2-(hydroxymethyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone.
What is the SMILES notation for 1-[2-(hydroxymethyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone?
The canonical SMILES for 1-[2-(hydroxymethyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone is O=C(Cn1cnnn1)N1CCCCC1CO.
What is the InChIKey of 1-[2-(hydroxymethyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone?
The InChIKey is MCALHDSBBOOHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c15-6-8-3-1-2-4-14(8)9(16)5-13-7-10-11-12-13/h7-8,15H,1-6H2.
What are the key properties of 1-[2-(hydroxymethyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone?
1-[2-(hydroxymethyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone has a molecular weight of 225.25 g/mol, XLogP of -0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone is sourced from PubChem (CID 43421717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).