[1-(hydroxymethyl)cyclohexyl]-piperazin-1-ylmethanone

C12H22N2O2 — CID 82509882

IUPAC[1-(hydroxymethyl)cyclohexyl]-piperazin-1-ylmethanone
SMILESO=C(N1CCNCC1)C1(CO)CCCCC1
InChIInChI=1S/C12H22N2O2/c15-10-12(4-2-1-3-5-12)11(16)14-8-6-13-7-9-14/h13,15H,1-10H2
InChIKeyOIVVTTYLRRMVLR-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.36
Rot. Bonds2

About [1-(hydroxymethyl)cyclohexyl]-piperazin-1-ylmethanone

[1-(hydroxymethyl)cyclohexyl]-piperazin-1-ylmethanone (PubChem CID 82509882) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is [1-(hydroxymethyl)cyclohexyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[1-(hydroxymethyl)cyclohexyl]-piperazin-1-ylmethanone
PubChem CID82509882
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name[1-(hydroxymethyl)cyclohexyl]-piperazin-1-ylmethanone
SMILESO=C(N1CCNCC1)C1(CO)CCCCC1
InChIInChI=1S/C12H22N2O2/c15-10-12(4-2-1-3-5-12)11(16)14-8-6-13-7-9-14/h13,15H,1-10H2
InChIKeyOIVVTTYLRRMVLR-UHFFFAOYSA-N
XLogP0.36
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(hydroxymethyl)cyclohexyl]-piperazin-1-ylmethanone?
The IUPAC name of [1-(hydroxymethyl)cyclohexyl]-piperazin-1-ylmethanone (CID 82509882) is [1-(hydroxymethyl)cyclohexyl]-piperazin-1-ylmethanone.
What is the SMILES notation for [1-(hydroxymethyl)cyclohexyl]-piperazin-1-ylmethanone?
The canonical SMILES for [1-(hydroxymethyl)cyclohexyl]-piperazin-1-ylmethanone is O=C(N1CCNCC1)C1(CO)CCCCC1.
What is the InChIKey of [1-(hydroxymethyl)cyclohexyl]-piperazin-1-ylmethanone?
The InChIKey is OIVVTTYLRRMVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c15-10-12(4-2-1-3-5-12)11(16)14-8-6-13-7-9-14/h13,15H,1-10H2.
What are the key properties of [1-(hydroxymethyl)cyclohexyl]-piperazin-1-ylmethanone?
[1-(hydroxymethyl)cyclohexyl]-piperazin-1-ylmethanone has a molecular weight of 226.32 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(hydroxymethyl)cyclohexyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 82509882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).