ethane;1-[2-(methylamino)cyclohexa-1,3-dien-1-yl]piperidin-4-ol

C14H26N2O — CID 143800922

IUPACethane;1-[2-(methylamino)cyclohexa-1,3-dien-1-yl]piperidin-4-ol
SMILESCC.CNC1=C(N2CCC(O)CC2)CCC=C1
InChIInChI=1S/C12H20N2O.C2H6/c1-13-11-4-2-3-5-12(11)14-8-6-10(15)7-9-14;1-2/h2,4,10,13,15H,3,5-9H2,1H3;1-2H3
InChIKeyPRMWEHJKLNZLDX-UHFFFAOYSA-N
MW238.38 g/mol
LogP2.25
Rot. Bonds2

About ethane;1-[2-(methylamino)cyclohexa-1,3-dien-1-yl]piperidin-4-ol

ethane;1-[2-(methylamino)cyclohexa-1,3-dien-1-yl]piperidin-4-ol (PubChem CID 143800922) has the molecular formula C14H26N2O and a molecular weight of 238.38 g/mol. Its IUPAC name is ethane;1-[2-(methylamino)cyclohexa-1,3-dien-1-yl]piperidin-4-ol.

Molecular Properties

Compound Nameethane;1-[2-(methylamino)cyclohexa-1,3-dien-1-yl]piperidin-4-ol
PubChem CID143800922
Molecular FormulaC14H26N2O
Molecular Weight238.38 g/mol
Exact Mass238.20
IUPAC Nameethane;1-[2-(methylamino)cyclohexa-1,3-dien-1-yl]piperidin-4-ol
SMILESCC.CNC1=C(N2CCC(O)CC2)CCC=C1
InChIInChI=1S/C12H20N2O.C2H6/c1-13-11-4-2-3-5-12(11)14-8-6-10(15)7-9-14;1-2/h2,4,10,13,15H,3,5-9H2,1H3;1-2H3
InChIKeyPRMWEHJKLNZLDX-UHFFFAOYSA-N
XLogP2.25
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4R)-2-[(1E,3E)-penta-1,3-dienyl]piperidin-4-ol
CID 10773405
(2S,4S)-2-[(1E,3E)-penta-1,3-dienyl]piperidin-4-ol
CID 10241170
(2S,4R)-2-[(1E,3E)-penta-1,3-dienyl]piperidin-4-ol
CID 15071617
2-[(1E,3E)-penta-1,3-dienyl]piperidin-4-ol
CID 101290455
(2R,4S)-2-[(1E,3E)-penta-1,3-dienyl]piperidin-4-ol
CID 11286679
2-(Penta-1,3-dien-1-yl)piperidin-4-ol
CID 53439958
1-[4-[(5-Amino-1-hydroxypentyl)-methylamino]cyclohexa-1,5-dien-1-yl]piperidin-4-ol
CID 70892570
1-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]piperidin-4-ol
CID 88905165
1-(4-Aminocyclohexa-1,5-dien-1-yl)piperidin-4-ol
CID 89073983
1-(1-Aminohepta-2,4-dien-4-yl)piperidin-4-ol
CID 123300699
1-[(3Z,5Z)-4-methyl-3-(methylamino)hepta-3,5-dien-2-yl]piperidin-4-ol
CID 142300542
1-[(2Z,4Z)-2-(methylamino)hepta-2,4,6-trien-3-yl]piperidin-4-ol
CID 143800909

Frequently Asked Questions

What is the IUPAC name of ethane;1-[2-(methylamino)cyclohexa-1,3-dien-1-yl]piperidin-4-ol?
The IUPAC name of ethane;1-[2-(methylamino)cyclohexa-1,3-dien-1-yl]piperidin-4-ol (CID 143800922) is ethane;1-[2-(methylamino)cyclohexa-1,3-dien-1-yl]piperidin-4-ol.
What is the SMILES notation for ethane;1-[2-(methylamino)cyclohexa-1,3-dien-1-yl]piperidin-4-ol?
The canonical SMILES for ethane;1-[2-(methylamino)cyclohexa-1,3-dien-1-yl]piperidin-4-ol is CC.CNC1=C(N2CCC(O)CC2)CCC=C1.
What is the InChIKey of ethane;1-[2-(methylamino)cyclohexa-1,3-dien-1-yl]piperidin-4-ol?
The InChIKey is PRMWEHJKLNZLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O.C2H6/c1-13-11-4-2-3-5-12(11)14-8-6-10(15)7-9-14;1-2/h2,4,10,13,15H,3,5-9H2,1H3;1-2H3.
What are the key properties of ethane;1-[2-(methylamino)cyclohexa-1,3-dien-1-yl]piperidin-4-ol?
ethane;1-[2-(methylamino)cyclohexa-1,3-dien-1-yl]piperidin-4-ol has a molecular weight of 238.38 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[2-(methylamino)cyclohexa-1,3-dien-1-yl]piperidin-4-ol is sourced from PubChem (CID 143800922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).