4-pent-3-ynylpiperidin-4-ol

C10H17NO — CID 104809323

IUPAC4-pent-3-ynylpiperidin-4-ol
SMILESCC#CCCC1(O)CCNCC1
InChIInChI=1S/C10H17NO/c1-2-3-4-5-10(12)6-8-11-9-7-10/h11-12H,4-9H2,1H3
InChIKeyWGOSIYMHBBORNO-UHFFFAOYSA-N
MW167.25 g/mol
LogP0.90
Rot. Bonds2

About 4-pent-3-ynylpiperidin-4-ol

4-pent-3-ynylpiperidin-4-ol (PubChem CID 104809323) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 4-pent-3-ynylpiperidin-4-ol.

Molecular Properties

Compound Name4-pent-3-ynylpiperidin-4-ol
PubChem CID104809323
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name4-pent-3-ynylpiperidin-4-ol
SMILESCC#CCCC1(O)CCNCC1
InChIInChI=1S/C10H17NO/c1-2-3-4-5-10(12)6-8-11-9-7-10/h11-12H,4-9H2,1H3
InChIKeyWGOSIYMHBBORNO-UHFFFAOYSA-N
XLogP0.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-pent-3-ynylazetidin-3-ol
CID 104809578
4-but-3-ynylpiperidin-4-ol
CID 63656510
3,3,5,5-tetramethyl-1-pent-3-ynylcyclohexan-1-ol
CID 104809755
4-[3-(methylamino)propyl]piperidin-4-ol
CID 145279418
8-pent-3-ynylspiro[3.4]octan-8-ol
CID 127011833
2-methyl-2-pent-3-ynylpyrrolidine
CID 104806320
2,2-dimethyl-1-pent-3-ynylcyclopentan-1-ol
CID 104809607
1-(4-phenylpiperidin-4-yl)hex-4-yn-1-one
CID 116561927
ethane;4-(methoxymethyl)piperidin-4-ol
CID 143945280
1-(4-propylpiperidin-4-yl)pent-3-yn-1-one
CID 116569082
2-methyl-2-pent-3-ynylazepane
CID 104806626
4-[(dipropylamino)methyl]piperidin-4-ol
CID 62221851

Frequently Asked Questions

What is the IUPAC name of 4-pent-3-ynylpiperidin-4-ol?
The IUPAC name of 4-pent-3-ynylpiperidin-4-ol (CID 104809323) is 4-pent-3-ynylpiperidin-4-ol.
What is the SMILES notation for 4-pent-3-ynylpiperidin-4-ol?
The canonical SMILES for 4-pent-3-ynylpiperidin-4-ol is CC#CCCC1(O)CCNCC1.
What is the InChIKey of 4-pent-3-ynylpiperidin-4-ol?
The InChIKey is WGOSIYMHBBORNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-2-3-4-5-10(12)6-8-11-9-7-10/h11-12H,4-9H2,1H3.
What are the key properties of 4-pent-3-ynylpiperidin-4-ol?
4-pent-3-ynylpiperidin-4-ol has a molecular weight of 167.25 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pent-3-ynylpiperidin-4-ol is sourced from PubChem (CID 104809323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).