1-ethyl-4-[2-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]ethyl]tetrazol-5-one

C12H23N5O2 — CID 23539655

IUPAC1-ethyl-4-[2-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]ethyl]tetrazol-5-one
SMILESCCn1nnn(CCN2CCC(C)(CO)CC2)c1=O
InChIInChI=1S/C12H23N5O2/c1-3-16-11(19)17(14-13-16)9-8-15-6-4-12(2,10-18)5-7-15/h18H,3-10H2,1-2H3
InChIKeyZRLHLZIPAILAJQ-UHFFFAOYSA-N
MW269.35 g/mol
LogP-0.45
Rot. Bonds5

About 1-ethyl-4-[2-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]ethyl]tetrazol-5-one

1-ethyl-4-[2-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]ethyl]tetrazol-5-one (PubChem CID 23539655) has the molecular formula C12H23N5O2 and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-ethyl-4-[2-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]ethyl]tetrazol-5-one.

Molecular Properties

Compound Name1-ethyl-4-[2-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]ethyl]tetrazol-5-one
PubChem CID23539655
Molecular FormulaC12H23N5O2
Molecular Weight269.35 g/mol
Exact Mass269.19
IUPAC Name1-ethyl-4-[2-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]ethyl]tetrazol-5-one
SMILESCCn1nnn(CCN2CCC(C)(CO)CC2)c1=O
InChIInChI=1S/C12H23N5O2/c1-3-16-11(19)17(14-13-16)9-8-15-6-4-12(2,10-18)5-7-15/h18H,3-10H2,1-2H3
InChIKeyZRLHLZIPAILAJQ-UHFFFAOYSA-N
XLogP-0.45
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[2-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]ethyl]tetrazol-5-one?
The IUPAC name of 1-ethyl-4-[2-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]ethyl]tetrazol-5-one (CID 23539655) is 1-ethyl-4-[2-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]ethyl]tetrazol-5-one.
What is the SMILES notation for 1-ethyl-4-[2-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]ethyl]tetrazol-5-one?
The canonical SMILES for 1-ethyl-4-[2-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]ethyl]tetrazol-5-one is CCn1nnn(CCN2CCC(C)(CO)CC2)c1=O.
What is the InChIKey of 1-ethyl-4-[2-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]ethyl]tetrazol-5-one?
The InChIKey is ZRLHLZIPAILAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2/c1-3-16-11(19)17(14-13-16)9-8-15-6-4-12(2,10-18)5-7-15/h18H,3-10H2,1-2H3.
What are the key properties of 1-ethyl-4-[2-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]ethyl]tetrazol-5-one?
1-ethyl-4-[2-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]ethyl]tetrazol-5-one has a molecular weight of 269.35 g/mol, XLogP of -0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[2-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]ethyl]tetrazol-5-one is sourced from PubChem (CID 23539655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).