4-[(4-acetylpiperazin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid

C14H24N2O4 — CID 106498347

IUPAC4-[(4-acetylpiperazin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid
SMILESCC(=O)N1CCN(CC2(O)CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C14H24N2O4/c1-11(17)16-8-6-15(7-9-16)10-14(20)4-2-12(3-5-14)13(18)19/h12,20H,2-10H2,1H3,(H,18,19)
InChIKeyRZDYLAFYSADZEC-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.16
Rot. Bonds3

About 4-[(4-acetylpiperazin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid

4-[(4-acetylpiperazin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid (PubChem CID 106498347) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[(4-acetylpiperazin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4-acetylpiperazin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid
PubChem CID106498347
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name4-[(4-acetylpiperazin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid
SMILESCC(=O)N1CCN(CC2(O)CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C14H24N2O4/c1-11(17)16-8-6-15(7-9-16)10-14(20)4-2-12(3-5-14)13(18)19/h12,20H,2-10H2,1H3,(H,18,19)
InChIKeyRZDYLAFYSADZEC-UHFFFAOYSA-N
XLogP0.16
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-acetylpiperazin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(4-acetylpiperazin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid (CID 106498347) is 4-[(4-acetylpiperazin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(4-acetylpiperazin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(4-acetylpiperazin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid is CC(=O)N1CCN(CC2(O)CCC(C(=O)O)CC2)CC1.
What is the InChIKey of 4-[(4-acetylpiperazin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid?
The InChIKey is RZDYLAFYSADZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-11(17)16-8-6-15(7-9-16)10-14(20)4-2-12(3-5-14)13(18)19/h12,20H,2-10H2,1H3,(H,18,19).
What are the key properties of 4-[(4-acetylpiperazin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid?
4-[(4-acetylpiperazin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-acetylpiperazin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid is sourced from PubChem (CID 106498347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).