1-cyclopropyl-3-methyl-1-piperidin-1-ylbut-3-en-2-ol

C13H23NO — CID 91042850

IUPAC1-cyclopropyl-3-methyl-1-piperidin-1-ylbut-3-en-2-ol
SMILESC=C(C)C(O)C(C1CC1)N1CCCCC1
InChIInChI=1S/C13H23NO/c1-10(2)13(15)12(11-6-7-11)14-8-4-3-5-9-14/h11-13,15H,1,3-9H2,2H3
InChIKeyPRQVMQWXCUTCAO-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.19
Rot. Bonds4

About 1-cyclopropyl-3-methyl-1-piperidin-1-ylbut-3-en-2-ol

1-cyclopropyl-3-methyl-1-piperidin-1-ylbut-3-en-2-ol (PubChem CID 91042850) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-cyclopropyl-3-methyl-1-piperidin-1-ylbut-3-en-2-ol.

Molecular Properties

Compound Name1-cyclopropyl-3-methyl-1-piperidin-1-ylbut-3-en-2-ol
PubChem CID91042850
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-cyclopropyl-3-methyl-1-piperidin-1-ylbut-3-en-2-ol
SMILESC=C(C)C(O)C(C1CC1)N1CCCCC1
InChIInChI=1S/C13H23NO/c1-10(2)13(15)12(11-6-7-11)14-8-4-3-5-9-14/h11-13,15H,1,3-9H2,2H3
InChIKeyPRQVMQWXCUTCAO-UHFFFAOYSA-N
XLogP2.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-cyclopropyl-3-methyl-1-piperidin-1-ylbut-3-en-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-5-methyl-4,6-dimethylidene-1-nonan-2-ylpiperidin-3-ol
CID 89059394
(3S,6R)-4-cyclopropyl-6-ethyl-1-methyl-3,6-dihydro-2H-pyridin-3-ol
CID 117945371
1-Ethyl-2-methyl-5-(2-methylprop-2-enyl)piperidin-4-ol
CID 123603830
2-Methyl-5-methylidene-2-piperidin-1-ylheptan-3-ol
CID 79045765
1-(2,5-Dimethylpiperidin-1-yl)hex-5-en-2-ol
CID 112283677
2,6-Dimethyl-2-piperidin-1-ylhept-6-en-3-ol
CID 114473932
2-[(1-Propan-2-ylpiperidin-4-yl)methyl]prop-2-en-1-ol
CID 117266660
2,4-Dimethyl-4-piperidin-1-ylpent-1-en-3-ol
CID 130847824

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-methyl-1-piperidin-1-ylbut-3-en-2-ol?
The IUPAC name of 1-cyclopropyl-3-methyl-1-piperidin-1-ylbut-3-en-2-ol (CID 91042850) is 1-cyclopropyl-3-methyl-1-piperidin-1-ylbut-3-en-2-ol.
What is the SMILES notation for 1-cyclopropyl-3-methyl-1-piperidin-1-ylbut-3-en-2-ol?
The canonical SMILES for 1-cyclopropyl-3-methyl-1-piperidin-1-ylbut-3-en-2-ol is C=C(C)C(O)C(C1CC1)N1CCCCC1.
What is the InChIKey of 1-cyclopropyl-3-methyl-1-piperidin-1-ylbut-3-en-2-ol?
The InChIKey is PRQVMQWXCUTCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-10(2)13(15)12(11-6-7-11)14-8-4-3-5-9-14/h11-13,15H,1,3-9H2,2H3.
What are the key properties of 1-cyclopropyl-3-methyl-1-piperidin-1-ylbut-3-en-2-ol?
1-cyclopropyl-3-methyl-1-piperidin-1-ylbut-3-en-2-ol has a molecular weight of 209.33 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-methyl-1-piperidin-1-ylbut-3-en-2-ol is sourced from PubChem (CID 91042850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).