cyclopent-3-en-1-yl-[4-(2-hydroxyethyl)piperidin-1-yl]methanone

C13H21NO2 — CID 121200728

IUPACcyclopent-3-en-1-yl-[4-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESO=C(C1CC=CC1)N1CCC(CCO)CC1
InChIInChI=1S/C13H21NO2/c15-10-7-11-5-8-14(9-6-11)13(16)12-3-1-2-4-12/h1-2,11-12,15H,3-10H2
InChIKeyRSAVEHABFFPFKJ-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.57
Rot. Bonds3

About cyclopent-3-en-1-yl-[4-(2-hydroxyethyl)piperidin-1-yl]methanone

cyclopent-3-en-1-yl-[4-(2-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 121200728) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is cyclopent-3-en-1-yl-[4-(2-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopent-3-en-1-yl-[4-(2-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID121200728
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Namecyclopent-3-en-1-yl-[4-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESO=C(C1CC=CC1)N1CCC(CCO)CC1
InChIInChI=1S/C13H21NO2/c15-10-7-11-5-8-14(9-6-11)13(16)12-3-1-2-4-12/h1-2,11-12,15H,3-10H2
InChIKeyRSAVEHABFFPFKJ-UHFFFAOYSA-N
XLogP1.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.57
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

cyclopropyl-[4-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 121200495
cyclopent-3-en-1-yl-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 129371278
[4-(2-hydroxyethyl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 121200652
cyclohex-3-en-1-yl-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62371831
cyclohex-3-en-1-yl-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62370931
cyclopent-3-en-1-yl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 113283403
(4-aminopiperidin-1-yl)-cyclohex-3-en-1-ylmethanone
CID 43556220
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(4-methylcyclohexyl)methanone
CID 115775330
cyclopent-3-en-1-yl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 64766485
1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 121200732
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(oxolan-3-yl)methanone
CID 115746294
7-bicyclo[4.1.0]heptanyl-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 113340532

Frequently Asked Questions

What is the IUPAC name of cyclopent-3-en-1-yl-[4-(2-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of cyclopent-3-en-1-yl-[4-(2-hydroxyethyl)piperidin-1-yl]methanone (CID 121200728) is cyclopent-3-en-1-yl-[4-(2-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclopent-3-en-1-yl-[4-(2-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for cyclopent-3-en-1-yl-[4-(2-hydroxyethyl)piperidin-1-yl]methanone is O=C(C1CC=CC1)N1CCC(CCO)CC1.
What is the InChIKey of cyclopent-3-en-1-yl-[4-(2-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is RSAVEHABFFPFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c15-10-7-11-5-8-14(9-6-11)13(16)12-3-1-2-4-12/h1-2,11-12,15H,3-10H2.
What are the key properties of cyclopent-3-en-1-yl-[4-(2-hydroxyethyl)piperidin-1-yl]methanone?
cyclopent-3-en-1-yl-[4-(2-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 223.32 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-3-en-1-yl-[4-(2-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 121200728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).