[4-(2-methylpropyl)piperazin-1-yl]-(oxan-4-yl)methanone

C14H26N2O2 — CID 113072893

IUPAC[4-(2-methylpropyl)piperazin-1-yl]-(oxan-4-yl)methanone
SMILESCC(C)CN1CCN(C(=O)C2CCOCC2)CC1
InChIInChI=1S/C14H26N2O2/c1-12(2)11-15-5-7-16(8-6-15)14(17)13-3-9-18-10-4-13/h12-13H,3-11H2,1-2H3
InChIKeyVPAKNLOWXPBIFL-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.21
Rot. Bonds3

About [4-(2-methylpropyl)piperazin-1-yl]-(oxan-4-yl)methanone

[4-(2-methylpropyl)piperazin-1-yl]-(oxan-4-yl)methanone (PubChem CID 113072893) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is [4-(2-methylpropyl)piperazin-1-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[4-(2-methylpropyl)piperazin-1-yl]-(oxan-4-yl)methanone
PubChem CID113072893
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name[4-(2-methylpropyl)piperazin-1-yl]-(oxan-4-yl)methanone
SMILESCC(C)CN1CCN(C(=O)C2CCOCC2)CC1
InChIInChI=1S/C14H26N2O2/c1-12(2)11-15-5-7-16(8-6-15)14(17)13-3-9-18-10-4-13/h12-13H,3-11H2,1-2H3
InChIKeyVPAKNLOWXPBIFL-UHFFFAOYSA-N
XLogP1.21
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-(2-methylpropyl)piperazin-1-yl]-(oxan-4-yl)methanone with MolForge

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Related Compounds

[1-(2-methylpropyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 883920
cyclohexyl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 113072857
(1-methylpiperidin-4-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 165146139
[4-(aminomethyl)cyclohexyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 62808544
[(4S)-4-[4-(2-methylpropyl)piperazin-1-yl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(oxan-4-yl)methanone
CID 125462383
cyclopropyl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 82113410
(3-aminocyclopentyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone;dihydrochloride
CID 119831557
[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-[(3S)-oxolan-3-yl]methanone
CID 95342573
[1-(oxane-4-carbonyl)piperidin-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155764611
(6-methylpiperidin-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 62778021
[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 95325634
[4-(1-hydroxyethyl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 112537685

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpropyl)piperazin-1-yl]-(oxan-4-yl)methanone?
The IUPAC name of [4-(2-methylpropyl)piperazin-1-yl]-(oxan-4-yl)methanone (CID 113072893) is [4-(2-methylpropyl)piperazin-1-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [4-(2-methylpropyl)piperazin-1-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [4-(2-methylpropyl)piperazin-1-yl]-(oxan-4-yl)methanone is CC(C)CN1CCN(C(=O)C2CCOCC2)CC1.
What is the InChIKey of [4-(2-methylpropyl)piperazin-1-yl]-(oxan-4-yl)methanone?
The InChIKey is VPAKNLOWXPBIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-12(2)11-15-5-7-16(8-6-15)14(17)13-3-9-18-10-4-13/h12-13H,3-11H2,1-2H3.
What are the key properties of [4-(2-methylpropyl)piperazin-1-yl]-(oxan-4-yl)methanone?
[4-(2-methylpropyl)piperazin-1-yl]-(oxan-4-yl)methanone has a molecular weight of 254.37 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpropyl)piperazin-1-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 113072893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).