3-(1-ethylpiperidin-4-yl)prop-2-yn-1-ol

C10H17NO — CID 117265365

IUPAC3-(1-ethylpiperidin-4-yl)prop-2-yn-1-ol
SMILESCCN1CCC(C#CCO)CC1
InChIInChI=1S/C10H17NO/c1-2-11-7-5-10(6-8-11)4-3-9-12/h10,12H,2,5-9H2,1H3
InChIKeyWEZNIOLWDXOLGM-UHFFFAOYSA-N
MW167.25 g/mol
LogP0.71
Rot. Bonds1

About 3-(1-ethylpiperidin-4-yl)prop-2-yn-1-ol

3-(1-ethylpiperidin-4-yl)prop-2-yn-1-ol (PubChem CID 117265365) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 3-(1-ethylpiperidin-4-yl)prop-2-yn-1-ol.

Molecular Properties

Compound Name3-(1-ethylpiperidin-4-yl)prop-2-yn-1-ol
PubChem CID117265365
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name3-(1-ethylpiperidin-4-yl)prop-2-yn-1-ol
SMILESCCN1CCC(C#CCO)CC1
InChIInChI=1S/C10H17NO/c1-2-11-7-5-10(6-8-11)4-3-9-12/h10,12H,2,5-9H2,1H3
InChIKeyWEZNIOLWDXOLGM-UHFFFAOYSA-N
XLogP0.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1-Ethyl-4-piperidinyl)methanol
CID 15512642
5-(Piperidin-1-yl)pent-3-yn-1-ol
CID 4321073
(1-Butylpiperidin-4-yl)methanol
CID 10241250
(1,1-Dimethylpiperidin-1-ium-4-yl)methanol
CID 3025136
4-[1-(1-Fluoro-1-hydroxyethyl)piperidin-4-yl]but-2-yn-1-ol
CID 89704260
6-Piperidin-1-ylhex-2-yn-1-ol
CID 40722
2-(4-Methylpiperidin-1-yl)ethanol
CID 12634605
3-(4-Methylpiperidin-1-YL)propan-1-OL
CID 15166583
4-Piperidinemethanol, 1-propyl-
CID 15512643
(1-Pentylpiperidin-4-yl)methanol
CID 15512644
1-(3-Methylpiperidin-1-yl)ethanol
CID 19049037
4-(4-Methylpiperidin-1-yl)butan-1-ol
CID 19256549

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpiperidin-4-yl)prop-2-yn-1-ol?
The IUPAC name of 3-(1-ethylpiperidin-4-yl)prop-2-yn-1-ol (CID 117265365) is 3-(1-ethylpiperidin-4-yl)prop-2-yn-1-ol.
What is the SMILES notation for 3-(1-ethylpiperidin-4-yl)prop-2-yn-1-ol?
The canonical SMILES for 3-(1-ethylpiperidin-4-yl)prop-2-yn-1-ol is CCN1CCC(C#CCO)CC1.
What is the InChIKey of 3-(1-ethylpiperidin-4-yl)prop-2-yn-1-ol?
The InChIKey is WEZNIOLWDXOLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-2-11-7-5-10(6-8-11)4-3-9-12/h10,12H,2,5-9H2,1H3.
What are the key properties of 3-(1-ethylpiperidin-4-yl)prop-2-yn-1-ol?
3-(1-ethylpiperidin-4-yl)prop-2-yn-1-ol has a molecular weight of 167.25 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpiperidin-4-yl)prop-2-yn-1-ol is sourced from PubChem (CID 117265365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).