4-ethynyl-1-propylpiperidin-4-ol

C10H17NO — CID 64915760

IUPAC4-ethynyl-1-propylpiperidin-4-ol
SMILESC#CC1(O)CCN(CCC)CC1
InChIInChI=1S/C10H17NO/c1-3-7-11-8-5-10(12,4-2)6-9-11/h2,12H,3,5-9H2,1H3
InChIKeyAAAFFRWPHLRTSU-UHFFFAOYSA-N
MW167.25 g/mol
LogP0.86
Rot. Bonds2

About 4-ethynyl-1-propylpiperidin-4-ol

4-ethynyl-1-propylpiperidin-4-ol (PubChem CID 64915760) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 4-ethynyl-1-propylpiperidin-4-ol.

Molecular Properties

Compound Name4-ethynyl-1-propylpiperidin-4-ol
PubChem CID64915760
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name4-ethynyl-1-propylpiperidin-4-ol
SMILESC#CC1(O)CCN(CCC)CC1
InChIInChI=1S/C10H17NO/c1-3-7-11-8-5-10(12,4-2)6-9-11/h2,12H,3,5-9H2,1H3
InChIKeyAAAFFRWPHLRTSU-UHFFFAOYSA-N
XLogP0.86
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 50.86
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-hydroxy-1-propylpiperidine-4-carbonitrile
CID 43436625
4-ethynyl-1-(3-piperidin-1-ylpropyl)piperidin-4-ol
CID 126822571
3-ethynyl-1-(3-methylbutyl)pyrrolidin-3-ol
CID 130992083
4-ethyl-1-propylpiperidin-4-ol
CID 60895499
4-(3-ethynyl-3-hydroxypyrrolidin-1-yl)butan-2-one
CID 131207055
4-but-3-ynyl-1-propylazepan-4-ol
CID 65077810
2-(4-hydroxy-1-propylpiperidin-4-yl)acetonitrile
CID 79116476
acetaldehyde;1-ethyl-4-ethynylpiperidin-4-ol;4-ethynylpiperidin-4-ol;molecular hydrogen
CID 161451950
methanol;1-propylpiperidine
CID 171515121
3-(4-hydroxy-1-propylpiperidin-4-yl)oxolane-3-carbonitrile
CID 79131371
1-propylpyrrolidine;hydrobromide
CID 173024709
1-(3-ethynyl-3-hydroxypyrrolidin-1-yl)butan-1-one
CID 130684712

Frequently Asked Questions

What is the IUPAC name of 4-ethynyl-1-propylpiperidin-4-ol?
The IUPAC name of 4-ethynyl-1-propylpiperidin-4-ol (CID 64915760) is 4-ethynyl-1-propylpiperidin-4-ol.
What is the SMILES notation for 4-ethynyl-1-propylpiperidin-4-ol?
The canonical SMILES for 4-ethynyl-1-propylpiperidin-4-ol is C#CC1(O)CCN(CCC)CC1.
What is the InChIKey of 4-ethynyl-1-propylpiperidin-4-ol?
The InChIKey is AAAFFRWPHLRTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-7-11-8-5-10(12,4-2)6-9-11/h2,12H,3,5-9H2,1H3.
What are the key properties of 4-ethynyl-1-propylpiperidin-4-ol?
4-ethynyl-1-propylpiperidin-4-ol has a molecular weight of 167.25 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-1-propylpiperidin-4-ol is sourced from PubChem (CID 64915760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).