1-prop-2-ynylpiperidin-4-ol

C8H13NO — CID 18616723

IUPAC1-prop-2-ynylpiperidin-4-ol
SMILESC#CCN1CCC(O)CC1
InChIInChI=1S/C8H13NO/c1-2-5-9-6-3-8(10)4-7-9/h1,8,10H,3-7H2
InChIKeyCEUZTHSDJADUSJ-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.08
Rot. Bonds1

About 1-prop-2-ynylpiperidin-4-ol

1-prop-2-ynylpiperidin-4-ol (PubChem CID 18616723) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-prop-2-ynylpiperidin-4-ol.

Molecular Properties

Compound Name1-prop-2-ynylpiperidin-4-ol
PubChem CID18616723
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name1-prop-2-ynylpiperidin-4-ol
SMILESC#CCN1CCC(O)CC1
InChIInChI=1S/C8H13NO/c1-2-5-9-6-3-8(10)4-7-9/h1,8,10H,3-7H2
InChIKeyCEUZTHSDJADUSJ-UHFFFAOYSA-N
XLogP0.08
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.08
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

4-Piperidinol, 1-methyl-
CID 66048
Piperidine-1-propanol
CID 66032
1-Ethylpiperidin-4-ol
CID 77056
1-Propylpiperidin-4-ol
CID 13665269
1-Prop-2-ynyl-piperidin-3-ol
CID 227243
1-(2-Fluoroethyl)piperidin-4-ol
CID 40566262
2-Butyn-1-ol, 4-(1-piperidinyl)-
CID 180780
4-Hydroxy-N,N-dimethylpiperidinium
CID 428683
6-Piperidino-4-hexyn-2-ol
CID 2865300
5-(Piperidin-1-yl)pent-3-yn-1-ol
CID 4321073
6-(Piperidin-1-yl)hex-4-yn-3-ol
CID 2865780
2-Heptyn-4-ol, 1-(1-piperidinyl)-
CID 3736986

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-ynylpiperidin-4-ol?
The IUPAC name of 1-prop-2-ynylpiperidin-4-ol (CID 18616723) is 1-prop-2-ynylpiperidin-4-ol.
What is the SMILES notation for 1-prop-2-ynylpiperidin-4-ol?
The canonical SMILES for 1-prop-2-ynylpiperidin-4-ol is C#CCN1CCC(O)CC1.
What is the InChIKey of 1-prop-2-ynylpiperidin-4-ol?
The InChIKey is CEUZTHSDJADUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-2-5-9-6-3-8(10)4-7-9/h1,8,10H,3-7H2.
What are the key properties of 1-prop-2-ynylpiperidin-4-ol?
1-prop-2-ynylpiperidin-4-ol has a molecular weight of 139.20 g/mol, XLogP of 0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-ynylpiperidin-4-ol is sourced from PubChem (CID 18616723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).