ethane;1-[(4S)-4-ethoxycyclohexen-1-yl]piperidin-4-one

C15H27NO2 — CID 143542707

IUPACethane;1-[(4S)-4-ethoxycyclohexen-1-yl]piperidin-4-one
SMILESCC.CCO[C@@H]1CC=C(N2CCC(=O)CC2)CC1
InChIInChI=1S/C13H21NO2.C2H6/c1-2-16-13-5-3-11(4-6-13)14-9-7-12(15)8-10-14;1-2/h3,13H,2,4-10H2,1H3;1-2H3/t13-;/m1./s1
InChIKeyKEWFEJZKENMTIS-BTQNPOSSSA-N
MW253.39 g/mol
LogP3.15
Rot. Bonds3

About ethane;1-[(4S)-4-ethoxycyclohexen-1-yl]piperidin-4-one

ethane;1-[(4S)-4-ethoxycyclohexen-1-yl]piperidin-4-one (PubChem CID 143542707) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is ethane;1-[(4S)-4-ethoxycyclohexen-1-yl]piperidin-4-one.

Molecular Properties

Compound Nameethane;1-[(4S)-4-ethoxycyclohexen-1-yl]piperidin-4-one
PubChem CID143542707
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Nameethane;1-[(4S)-4-ethoxycyclohexen-1-yl]piperidin-4-one
SMILESCC.CCO[C@@H]1CC=C(N2CCC(=O)CC2)CC1
InChIInChI=1S/C13H21NO2.C2H6/c1-2-16-13-5-3-11(4-6-13)14-9-7-12(15)8-10-14;1-2/h3,13H,2,4-10H2,1H3;1-2H3/t13-;/m1./s1
InChIKeyKEWFEJZKENMTIS-BTQNPOSSSA-N
XLogP3.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-Methoxycyclohexen-1-yl)morpholine
CID 15658164
Acetic acid, 4-morpholin-4-yl-cyclohex-3-enyl ester
CID 540005
1-(4-Methoxycyclohexen-1-yl)piperidine
CID 23342940
1-[(4R)-4-propoxycyclohexen-1-yl]piperidin-4-one
CID 68075504
1-[(4R)-4-ethoxycyclohexen-1-yl]piperidin-4-one
CID 68081936
1-[(4S)-4-ethoxycyclohexen-1-yl]piperidin-4-one
CID 143542708

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(4S)-4-ethoxycyclohexen-1-yl]piperidin-4-one?
The IUPAC name of ethane;1-[(4S)-4-ethoxycyclohexen-1-yl]piperidin-4-one (CID 143542707) is ethane;1-[(4S)-4-ethoxycyclohexen-1-yl]piperidin-4-one.
What is the SMILES notation for ethane;1-[(4S)-4-ethoxycyclohexen-1-yl]piperidin-4-one?
The canonical SMILES for ethane;1-[(4S)-4-ethoxycyclohexen-1-yl]piperidin-4-one is CC.CCO[C@@H]1CC=C(N2CCC(=O)CC2)CC1.
What is the InChIKey of ethane;1-[(4S)-4-ethoxycyclohexen-1-yl]piperidin-4-one?
The InChIKey is KEWFEJZKENMTIS-BTQNPOSSSA-N. The full InChI is InChI=1S/C13H21NO2.C2H6/c1-2-16-13-5-3-11(4-6-13)14-9-7-12(15)8-10-14;1-2/h3,13H,2,4-10H2,1H3;1-2H3/t13-;/m1./s1.
What are the key properties of ethane;1-[(4S)-4-ethoxycyclohexen-1-yl]piperidin-4-one?
ethane;1-[(4S)-4-ethoxycyclohexen-1-yl]piperidin-4-one has a molecular weight of 253.39 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(4S)-4-ethoxycyclohexen-1-yl]piperidin-4-one is sourced from PubChem (CID 143542707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).