3-[cyclohexyl(2-hydroxyethyl)amino]-1-piperidin-1-ylpropan-1-one

C16H30N2O2 — CID 111114274

IUPAC3-[cyclohexyl(2-hydroxyethyl)amino]-1-piperidin-1-ylpropan-1-one
SMILESO=C(CCN(CCO)C1CCCCC1)N1CCCCC1
InChIInChI=1S/C16H30N2O2/c19-14-13-17(15-7-3-1-4-8-15)12-9-16(20)18-10-5-2-6-11-18/h15,19H,1-14H2
InChIKeyVXUSWGQGFMUNFX-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.02
Rot. Bonds6

About 3-[cyclohexyl(2-hydroxyethyl)amino]-1-piperidin-1-ylpropan-1-one

3-[cyclohexyl(2-hydroxyethyl)amino]-1-piperidin-1-ylpropan-1-one (PubChem CID 111114274) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 3-[cyclohexyl(2-hydroxyethyl)amino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[cyclohexyl(2-hydroxyethyl)amino]-1-piperidin-1-ylpropan-1-one
PubChem CID111114274
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name3-[cyclohexyl(2-hydroxyethyl)amino]-1-piperidin-1-ylpropan-1-one
SMILESO=C(CCN(CCO)C1CCCCC1)N1CCCCC1
InChIInChI=1S/C16H30N2O2/c19-14-13-17(15-7-3-1-4-8-15)12-9-16(20)18-10-5-2-6-11-18/h15,19H,1-14H2
InChIKeyVXUSWGQGFMUNFX-UHFFFAOYSA-N
XLogP2.02
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclohexyl(2-hydroxyethyl)amino]ethanol;nickel
CID 88833532
3-[cyclohexyl(ethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980296
1-(azepan-1-yl)-3-hydroxypropan-1-one
CID 82111325
3-[cyclopropyl(2-hydroxyethyl)amino]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 110892137
3-[methyl-(4-methylcyclohexyl)amino]-1-piperidin-1-ylpropan-1-one
CID 60500884
2-[cyclopropyl(2-hydroxyethyl)amino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 60510656
4-[cyclobutyl(3-hydroxypropyl)amino]-1-morpholin-4-ylbutan-1-one
CID 102858461
N-carbamoyl-3-[cyclobutyl(2-hydroxyethyl)amino]propanamide
CID 102676860
hydrazinyl 3-[cyclohexyl(2-hydroxyethyl)amino]propanoate
CID 66337127
2-[3-aminopropyl(cyclopentyl)amino]-1-piperidin-1-ylethanone
CID 43319620
2-(dicyclohexylamino)-1-pyrrolidin-1-ylethanone
CID 78843214
3-[cycloheptyl(3-hydroxypropyl)amino]propanoic acid
CID 82330129

Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexyl(2-hydroxyethyl)amino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-[cyclohexyl(2-hydroxyethyl)amino]-1-piperidin-1-ylpropan-1-one (CID 111114274) is 3-[cyclohexyl(2-hydroxyethyl)amino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[cyclohexyl(2-hydroxyethyl)amino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-[cyclohexyl(2-hydroxyethyl)amino]-1-piperidin-1-ylpropan-1-one is O=C(CCN(CCO)C1CCCCC1)N1CCCCC1.
What is the InChIKey of 3-[cyclohexyl(2-hydroxyethyl)amino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is VXUSWGQGFMUNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c19-14-13-17(15-7-3-1-4-8-15)12-9-16(20)18-10-5-2-6-11-18/h15,19H,1-14H2.
What are the key properties of 3-[cyclohexyl(2-hydroxyethyl)amino]-1-piperidin-1-ylpropan-1-one?
3-[cyclohexyl(2-hydroxyethyl)amino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 282.43 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexyl(2-hydroxyethyl)amino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 111114274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).