1-(1-propan-2-ylpiperidin-4-ylidene)propan-2-ol

C11H21NO — CID 103971228

IUPAC1-(1-propan-2-ylpiperidin-4-ylidene)propan-2-ol
SMILESCC(O)C=C1CCN(C(C)C)CC1
InChIInChI=1S/C11H21NO/c1-9(2)12-6-4-11(5-7-12)8-10(3)13/h8-10,13H,4-7H2,1-3H3
InChIKeyIOBUMMOIGUJLFL-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.80
Rot. Bonds2

About 1-(1-propan-2-ylpiperidin-4-ylidene)propan-2-ol

1-(1-propan-2-ylpiperidin-4-ylidene)propan-2-ol (PubChem CID 103971228) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is 1-(1-propan-2-ylpiperidin-4-ylidene)propan-2-ol.

Molecular Properties

Compound Name1-(1-propan-2-ylpiperidin-4-ylidene)propan-2-ol
PubChem CID103971228
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name1-(1-propan-2-ylpiperidin-4-ylidene)propan-2-ol
SMILESCC(O)C=C1CCN(C(C)C)CC1
InChIInChI=1S/C11H21NO/c1-9(2)12-6-4-11(5-7-12)8-10(3)13/h8-10,13H,4-7H2,1-3H3
InChIKeyIOBUMMOIGUJLFL-UHFFFAOYSA-N
XLogP1.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-4-yl)ethanol
CID 44368115
1-((E)-1,5,9-Trimethyl-deca-4,8-dienyl)-piperidin-4-ol
CID 44271495
2-(1-Butylpiperidin-4-ylidene)ethanol
CID 18695481
2-(1-Methylpiperidin-4-ylidene)ethanol
CID 18695573
(3S,6R)-5,6-diethyl-1-methyl-3,6-dihydro-2H-pyridin-3-ol
CID 117945341
4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-3-ol
CID 118190574
5-[(1-Cyclopentylpiperidin-4-ylidene)methyl]-2-methylhepta-2,4-dien-1-ol
CID 123767571
(2E)-2-(1-chloro-2-methylpiperidin-4-ylidene)ethanol
CID 130387510
(2E)-2-(1,2-dimethylpiperidin-4-ylidene)ethanol
CID 132157774
4-ethyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-3-ol
CID 144868090
(2R)-4-(1-methylpiperidin-4-ylidene)butan-2-ol
CID 155244234
(E)-5-piperidin-1-ylpent-3-en-2-ol
CID 155350600

Frequently Asked Questions

What is the IUPAC name of 1-(1-propan-2-ylpiperidin-4-ylidene)propan-2-ol?
The IUPAC name of 1-(1-propan-2-ylpiperidin-4-ylidene)propan-2-ol (CID 103971228) is 1-(1-propan-2-ylpiperidin-4-ylidene)propan-2-ol.
What is the SMILES notation for 1-(1-propan-2-ylpiperidin-4-ylidene)propan-2-ol?
The canonical SMILES for 1-(1-propan-2-ylpiperidin-4-ylidene)propan-2-ol is CC(O)C=C1CCN(C(C)C)CC1.
What is the InChIKey of 1-(1-propan-2-ylpiperidin-4-ylidene)propan-2-ol?
The InChIKey is IOBUMMOIGUJLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9(2)12-6-4-11(5-7-12)8-10(3)13/h8-10,13H,4-7H2,1-3H3.
What are the key properties of 1-(1-propan-2-ylpiperidin-4-ylidene)propan-2-ol?
1-(1-propan-2-ylpiperidin-4-ylidene)propan-2-ol has a molecular weight of 183.30 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propan-2-ylpiperidin-4-ylidene)propan-2-ol is sourced from PubChem (CID 103971228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).