(3S)-3-(2-cyclohexa-1,3-dien-1-yloxyethyl)piperidine;ethane

C15H27NO — CID 143093704

IUPAC(3S)-3-(2-cyclohexa-1,3-dien-1-yloxyethyl)piperidine;ethane
SMILESC1=CCCC(OCC[C@@H]2CCCNC2)=C1.CC
InChIInChI=1S/C13H21NO.C2H6/c1-2-6-13(7-3-1)15-10-8-12-5-4-9-14-11-12;1-2/h1-2,6,12,14H,3-5,7-11H2;1-2H3/t12-;/m0./s1
InChIKeyXFIQYNGFZPOOFG-YDALLXLXSA-N
MW237.39 g/mol
LogP3.65
Rot. Bonds4

About (3S)-3-(2-cyclohexa-1,3-dien-1-yloxyethyl)piperidine;ethane

(3S)-3-(2-cyclohexa-1,3-dien-1-yloxyethyl)piperidine;ethane (PubChem CID 143093704) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is (3S)-3-(2-cyclohexa-1,3-dien-1-yloxyethyl)piperidine;ethane.

Molecular Properties

Compound Name(3S)-3-(2-cyclohexa-1,3-dien-1-yloxyethyl)piperidine;ethane
PubChem CID143093704
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name(3S)-3-(2-cyclohexa-1,3-dien-1-yloxyethyl)piperidine;ethane
SMILESC1=CCCC(OCC[C@@H]2CCCNC2)=C1.CC
InChIInChI=1S/C13H21NO.C2H6/c1-2-6-13(7-3-1)15-10-8-12-5-4-9-14-11-12;1-2/h1-2,6,12,14H,3-5,7-11H2;1-2H3/t12-;/m0./s1
InChIKeyXFIQYNGFZPOOFG-YDALLXLXSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(3,4-dihydro-2H-pyran-6-yl)-1-fluoroethyl]piperidine
CID 102648248
3-[3,4-dihydro-2H-pyran-6-yl(fluoro)methyl]piperidine
CID 102648250
3-[1-(2,3-Dihydrofuran-5-yl)-1-fluoroethyl]piperidine
CID 102652371
3-[2,3-Dihydrofuran-5-yl(fluoro)methyl]piperidine
CID 102652373
4-[5-(Cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]piperidine
CID 56998454
4-[3-[(2E,4Z)-hexa-2,4-dien-2-yl]oxypropyl]piperidine
CID 59943682
4-[(4R)-4-methylcyclohexen-1-yl]oxypiperidine
CID 68082956
4-[(4R)-4-propan-2-ylcyclohexen-1-yl]oxypiperidine
CID 68083152
2,3,4,10,10a,10b-hexahydro-1H-chromeno[3,4-b]pyridine
CID 69154227
4-(3-Hexa-2,4-dien-2-yloxypropyl)piperidine
CID 72602614
4-[[(1E,3Z)-1-(2-methylcyclobutyl)penta-1,3-dienoxy]methyl]piperidine
CID 89067072
N-methyl-3,4,4a,5-tetrahydro-2H-chromen-4-amine
CID 89378200

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-cyclohexa-1,3-dien-1-yloxyethyl)piperidine;ethane?
The IUPAC name of (3S)-3-(2-cyclohexa-1,3-dien-1-yloxyethyl)piperidine;ethane (CID 143093704) is (3S)-3-(2-cyclohexa-1,3-dien-1-yloxyethyl)piperidine;ethane.
What is the SMILES notation for (3S)-3-(2-cyclohexa-1,3-dien-1-yloxyethyl)piperidine;ethane?
The canonical SMILES for (3S)-3-(2-cyclohexa-1,3-dien-1-yloxyethyl)piperidine;ethane is C1=CCCC(OCC[C@@H]2CCCNC2)=C1.CC.
What is the InChIKey of (3S)-3-(2-cyclohexa-1,3-dien-1-yloxyethyl)piperidine;ethane?
The InChIKey is XFIQYNGFZPOOFG-YDALLXLXSA-N. The full InChI is InChI=1S/C13H21NO.C2H6/c1-2-6-13(7-3-1)15-10-8-12-5-4-9-14-11-12;1-2/h1-2,6,12,14H,3-5,7-11H2;1-2H3/t12-;/m0./s1.
What are the key properties of (3S)-3-(2-cyclohexa-1,3-dien-1-yloxyethyl)piperidine;ethane?
(3S)-3-(2-cyclohexa-1,3-dien-1-yloxyethyl)piperidine;ethane has a molecular weight of 237.39 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-cyclohexa-1,3-dien-1-yloxyethyl)piperidine;ethane is sourced from PubChem (CID 143093704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).