4-(2,5-dihydro-1H-pyrrol-2-yl)-1-ethylpiperidin-4-ol

C11H20N2O — CID 130510173

IUPAC4-(2,5-dihydro-1H-pyrrol-2-yl)-1-ethylpiperidin-4-ol
SMILESCCN1CCC(O)(C2C=CCN2)CC1
InChIInChI=1S/C11H20N2O/c1-2-13-8-5-11(14,6-9-13)10-4-3-7-12-10/h3-4,10,12,14H,2,5-9H2,1H3
InChIKeyBVWJMSMXIYFGAP-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.36
Rot. Bonds2

About 4-(2,5-dihydro-1H-pyrrol-2-yl)-1-ethylpiperidin-4-ol

4-(2,5-dihydro-1H-pyrrol-2-yl)-1-ethylpiperidin-4-ol (PubChem CID 130510173) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 4-(2,5-dihydro-1H-pyrrol-2-yl)-1-ethylpiperidin-4-ol.

Molecular Properties

Compound Name4-(2,5-dihydro-1H-pyrrol-2-yl)-1-ethylpiperidin-4-ol
PubChem CID130510173
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name4-(2,5-dihydro-1H-pyrrol-2-yl)-1-ethylpiperidin-4-ol
SMILESCCN1CCC(O)(C2C=CCN2)CC1
InChIInChI=1S/C11H20N2O/c1-2-13-8-5-11(14,6-9-13)10-4-3-7-12-10/h3-4,10,12,14H,2,5-9H2,1H3
InChIKeyBVWJMSMXIYFGAP-UHFFFAOYSA-N
XLogP0.36
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-methyl-3-piperidin-1-ylhex-4-en-2-ol
CID 164669056
4-(1,2-Dihydropyridin-2-yl)piperidin-4-ol
CID 69090804
1-Methyl-4-(2-methyl-1,2,3,6-tetrahydropyridin-3-yl)piperidin-4-ol
CID 143016122
4-[5-(1-Aminoethyl)-1,2-dihydropyridin-2-yl]-1-methylpiperidin-4-ol
CID 143709591
4-methylpiperidin-4-ol;(E)-non-4-ene
CID 170590699
1-Propan-2-yl-4-prop-2-enylpiperidin-1-ium-4-ol
CID 7200983
4-{[(1-Methylpiperidin-4-YL)amino]methyl}hepta-1,6-dien-4-OL
CID 50967811
1-(Cyclohex-2-en-1-ylamino)-2-methylbutan-2-ol
CID 107907099
3-[(Cyclohex-2-en-1-ylamino)methyl]pentan-3-ol
CID 107907101
4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]piperidin-4-ol
CID 114460113
3-[(Cyclopent-3-en-1-ylamino)methyl]pentan-3-ol
CID 114493639
2-(2,4-Dimethyl-1,2,3,6-tetrahydropyridin-6-yl)butan-2-ol
CID 129930420

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dihydro-1H-pyrrol-2-yl)-1-ethylpiperidin-4-ol?
The IUPAC name of 4-(2,5-dihydro-1H-pyrrol-2-yl)-1-ethylpiperidin-4-ol (CID 130510173) is 4-(2,5-dihydro-1H-pyrrol-2-yl)-1-ethylpiperidin-4-ol.
What is the SMILES notation for 4-(2,5-dihydro-1H-pyrrol-2-yl)-1-ethylpiperidin-4-ol?
The canonical SMILES for 4-(2,5-dihydro-1H-pyrrol-2-yl)-1-ethylpiperidin-4-ol is CCN1CCC(O)(C2C=CCN2)CC1.
What is the InChIKey of 4-(2,5-dihydro-1H-pyrrol-2-yl)-1-ethylpiperidin-4-ol?
The InChIKey is BVWJMSMXIYFGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-2-13-8-5-11(14,6-9-13)10-4-3-7-12-10/h3-4,10,12,14H,2,5-9H2,1H3.
What are the key properties of 4-(2,5-dihydro-1H-pyrrol-2-yl)-1-ethylpiperidin-4-ol?
4-(2,5-dihydro-1H-pyrrol-2-yl)-1-ethylpiperidin-4-ol has a molecular weight of 196.29 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dihydro-1H-pyrrol-2-yl)-1-ethylpiperidin-4-ol is sourced from PubChem (CID 130510173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).