2,4-dimethyl-4-piperidin-1-ylpent-1-en-3-ol

C12H23NO — CID 130847824

IUPAC2,4-dimethyl-4-piperidin-1-ylpent-1-en-3-ol
SMILESC=C(C)C(O)C(C)(C)N1CCCCC1
InChIInChI=1S/C12H23NO/c1-10(2)11(14)12(3,4)13-8-6-5-7-9-13/h11,14H,1,5-9H2,2-4H3
InChIKeyDJPBGFLQRXADHL-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.19
Rot. Bonds3

About 2,4-dimethyl-4-piperidin-1-ylpent-1-en-3-ol

2,4-dimethyl-4-piperidin-1-ylpent-1-en-3-ol (PubChem CID 130847824) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2,4-dimethyl-4-piperidin-1-ylpent-1-en-3-ol.

Molecular Properties

Compound Name2,4-dimethyl-4-piperidin-1-ylpent-1-en-3-ol
PubChem CID130847824
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2,4-dimethyl-4-piperidin-1-ylpent-1-en-3-ol
SMILESC=C(C)C(O)C(C)(C)N1CCCCC1
InChIInChI=1S/C12H23NO/c1-10(2)11(14)12(3,4)13-8-6-5-7-9-13/h11,14H,1,5-9H2,2-4H3
InChIKeyDJPBGFLQRXADHL-UHFFFAOYSA-N
XLogP2.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.19
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

1-Cyclopropyl-3-methyl-1-piperidin-1-ylbut-3-en-2-ol
CID 91042850
3-Methylidene-1-(4-methylpiperidin-1-yl)pentan-2-ol
CID 131995211
2-Methyl-2-piperidin-1-ylhept-6-en-3-ol
CID 79045394
2-Methyl-5-methylidene-2-piperidin-1-ylheptan-3-ol
CID 79045765
2-Methyl-2-piperidin-1-ylhex-5-en-3-ol
CID 79045985
3-Methyl-3-piperidin-1-yloct-7-en-4-ol
CID 79065214
5-Methyl-5-piperidin-1-ylhept-1-en-4-ol
CID 79065357
2-(Diethylamino)-2,5-dimethylhex-5-en-3-ol
CID 79178034
2,5-Dimethyl-2-piperidin-1-ylhex-5-en-3-ol
CID 79178255
2,5-Dimethyl-2-morpholin-4-ylhex-5-en-3-ol
CID 79178472
2,5-Dimethyl-5-piperidin-1-ylhept-1-en-4-ol
CID 79178907
2-(Piperidin-1-ylmethyl)pent-1-en-3-ol
CID 101890480

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-4-piperidin-1-ylpent-1-en-3-ol?
The IUPAC name of 2,4-dimethyl-4-piperidin-1-ylpent-1-en-3-ol (CID 130847824) is 2,4-dimethyl-4-piperidin-1-ylpent-1-en-3-ol.
What is the SMILES notation for 2,4-dimethyl-4-piperidin-1-ylpent-1-en-3-ol?
The canonical SMILES for 2,4-dimethyl-4-piperidin-1-ylpent-1-en-3-ol is C=C(C)C(O)C(C)(C)N1CCCCC1.
What is the InChIKey of 2,4-dimethyl-4-piperidin-1-ylpent-1-en-3-ol?
The InChIKey is DJPBGFLQRXADHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(2)11(14)12(3,4)13-8-6-5-7-9-13/h11,14H,1,5-9H2,2-4H3.
What are the key properties of 2,4-dimethyl-4-piperidin-1-ylpent-1-en-3-ol?
2,4-dimethyl-4-piperidin-1-ylpent-1-en-3-ol has a molecular weight of 197.32 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-4-piperidin-1-ylpent-1-en-3-ol is sourced from PubChem (CID 130847824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).