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

C12H20N2O — CID 143800923

IUPAC1-[2-(methylamino)cyclohexa-1,3-dien-1-yl]piperidin-4-ol
SMILESCNC1=C(N2CCC(O)CC2)CCC=C1
InChIInChI=1S/C12H20N2O/c1-13-11-4-2-3-5-12(11)14-8-6-10(15)7-9-14/h2,4,10,13,15H,3,5-9H2,1H3
InChIKeyYBXVUWXHXUVYDM-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.22
Rot. Bonds2

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

1-[2-(methylamino)cyclohexa-1,3-dien-1-yl]piperidin-4-ol (PubChem CID 143800923) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-[2-(methylamino)cyclohexa-1,3-dien-1-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-(methylamino)cyclohexa-1,3-dien-1-yl]piperidin-4-ol
PubChem CID143800923
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name1-[2-(methylamino)cyclohexa-1,3-dien-1-yl]piperidin-4-ol
SMILESCNC1=C(N2CCC(O)CC2)CCC=C1
InChIInChI=1S/C12H20N2O/c1-13-11-4-2-3-5-12(11)14-8-6-10(15)7-9-14/h2,4,10,13,15H,3,5-9H2,1H3
InChIKeyYBXVUWXHXUVYDM-UHFFFAOYSA-N
XLogP1.22
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.22
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 1-[2-(methylamino)cyclohexa-1,3-dien-1-yl]piperidin-4-ol?
The IUPAC name of 1-[2-(methylamino)cyclohexa-1,3-dien-1-yl]piperidin-4-ol (CID 143800923) is 1-[2-(methylamino)cyclohexa-1,3-dien-1-yl]piperidin-4-ol.
What is the SMILES notation for 1-[2-(methylamino)cyclohexa-1,3-dien-1-yl]piperidin-4-ol?
The canonical SMILES for 1-[2-(methylamino)cyclohexa-1,3-dien-1-yl]piperidin-4-ol is CNC1=C(N2CCC(O)CC2)CCC=C1.
What is the InChIKey of 1-[2-(methylamino)cyclohexa-1,3-dien-1-yl]piperidin-4-ol?
The InChIKey is YBXVUWXHXUVYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-13-11-4-2-3-5-12(11)14-8-6-10(15)7-9-14/h2,4,10,13,15H,3,5-9H2,1H3.
What are the key properties of 1-[2-(methylamino)cyclohexa-1,3-dien-1-yl]piperidin-4-ol?
1-[2-(methylamino)cyclohexa-1,3-dien-1-yl]piperidin-4-ol has a molecular weight of 208.31 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylamino)cyclohexa-1,3-dien-1-yl]piperidin-4-ol is sourced from PubChem (CID 143800923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).