2-(3-methoxyprop-2-enyl)-3-(4-methylpiperidin-1-yl)cyclopentan-1-ol

C15H27NO2 — CID 70470284

IUPAC2-(3-methoxyprop-2-enyl)-3-(4-methylpiperidin-1-yl)cyclopentan-1-ol
SMILESCOC=CCC1C(O)CCC1N1CCC(C)CC1
InChIInChI=1S/C15H27NO2/c1-12-7-9-16(10-8-12)14-5-6-15(17)13(14)4-3-11-18-2/h3,11-15,17H,4-10H2,1-2H3
InChIKeyDCUAALATAOAEKX-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.41
Rot. Bonds4

About 2-(3-methoxyprop-2-enyl)-3-(4-methylpiperidin-1-yl)cyclopentan-1-ol

2-(3-methoxyprop-2-enyl)-3-(4-methylpiperidin-1-yl)cyclopentan-1-ol (PubChem CID 70470284) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-(3-methoxyprop-2-enyl)-3-(4-methylpiperidin-1-yl)cyclopentan-1-ol.

Molecular Properties

Compound Name2-(3-methoxyprop-2-enyl)-3-(4-methylpiperidin-1-yl)cyclopentan-1-ol
PubChem CID70470284
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name2-(3-methoxyprop-2-enyl)-3-(4-methylpiperidin-1-yl)cyclopentan-1-ol
SMILESCOC=CCC1C(O)CCC1N1CCC(C)CC1
InChIInChI=1S/C15H27NO2/c1-12-7-9-16(10-8-12)14-5-6-15(17)13(14)4-3-11-18-2/h3,11-15,17H,4-10H2,1-2H3
InChIKeyDCUAALATAOAEKX-UHFFFAOYSA-N
XLogP2.41
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyprop-2-enyl)-3-(4-methylpiperidin-1-yl)cyclopentan-1-ol?
The IUPAC name of 2-(3-methoxyprop-2-enyl)-3-(4-methylpiperidin-1-yl)cyclopentan-1-ol (CID 70470284) is 2-(3-methoxyprop-2-enyl)-3-(4-methylpiperidin-1-yl)cyclopentan-1-ol.
What is the SMILES notation for 2-(3-methoxyprop-2-enyl)-3-(4-methylpiperidin-1-yl)cyclopentan-1-ol?
The canonical SMILES for 2-(3-methoxyprop-2-enyl)-3-(4-methylpiperidin-1-yl)cyclopentan-1-ol is COC=CCC1C(O)CCC1N1CCC(C)CC1.
What is the InChIKey of 2-(3-methoxyprop-2-enyl)-3-(4-methylpiperidin-1-yl)cyclopentan-1-ol?
The InChIKey is DCUAALATAOAEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-12-7-9-16(10-8-12)14-5-6-15(17)13(14)4-3-11-18-2/h3,11-15,17H,4-10H2,1-2H3.
What are the key properties of 2-(3-methoxyprop-2-enyl)-3-(4-methylpiperidin-1-yl)cyclopentan-1-ol?
2-(3-methoxyprop-2-enyl)-3-(4-methylpiperidin-1-yl)cyclopentan-1-ol has a molecular weight of 253.39 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyprop-2-enyl)-3-(4-methylpiperidin-1-yl)cyclopentan-1-ol is sourced from PubChem (CID 70470284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).