acetylene;3-piperidin-1-ylpropan-1-ol

C10H19NO — CID 162683866

IUPACacetylene;3-piperidin-1-ylpropan-1-ol
SMILESC#C.OCCCN1CCCCC1
InChIInChI=1S/C8H17NO.C2H2/c10-8-4-7-9-5-2-1-3-6-9;1-2/h10H,1-8H2;1-2H
InChIKeyBHGVMLCNRKXIRK-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.10
Rot. Bonds3

About acetylene;3-piperidin-1-ylpropan-1-ol

acetylene;3-piperidin-1-ylpropan-1-ol (PubChem CID 162683866) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is acetylene;3-piperidin-1-ylpropan-1-ol.

Molecular Properties

Compound Nameacetylene;3-piperidin-1-ylpropan-1-ol
PubChem CID162683866
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Nameacetylene;3-piperidin-1-ylpropan-1-ol
SMILESC#C.OCCCN1CCCCC1
InChIInChI=1S/C8H17NO.C2H2/c10-8-4-7-9-5-2-1-3-6-9;1-2/h10H,1-8H2;1-2H
InChIKeyBHGVMLCNRKXIRK-UHFFFAOYSA-N
XLogP1.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.10
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

10-piperidin-1-yldecan-1-ol
CID 22218518
6-(azacyclotridec-1-yl)hexan-1-ol
CID 101161993
3-[4-(3-hydroxypropyl)-1,4-diazepan-1-yl]propan-1-ol;hydrobromide
CID 70500350
carbamic acid;3-piperidin-1-ylpropan-1-ol;hydrochloride
CID 70077869
2-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]ethanol
CID 62021526
bis(2-piperidin-1-ylethanol);dihydroiodide
CID 175097300
3-[10-(3-hydroxypropyl)-1,4,7,10-tetrazabicyclo[5.5.3]pentadecan-4-yl]propan-1-ol
CID 101041195
3-(2-piperidin-1-ylethylamino)propan-1-ol
CID 53211307
2-[3-(azepan-1-yl)propylamino]ethanol
CID 53216056
1-(6-piperidin-1-ylhexyl)piperidine bromide
CID 53351438
3-(azocan-1-yl)-1-[4-(4-hydroxybutyl)piperazin-1-yl]propan-1-one
CID 46994863
5-(2-piperidin-1-ylethylamino)pentan-1-ol
CID 62227725

Frequently Asked Questions

What is the IUPAC name of acetylene;3-piperidin-1-ylpropan-1-ol?
The IUPAC name of acetylene;3-piperidin-1-ylpropan-1-ol (CID 162683866) is acetylene;3-piperidin-1-ylpropan-1-ol.
What is the SMILES notation for acetylene;3-piperidin-1-ylpropan-1-ol?
The canonical SMILES for acetylene;3-piperidin-1-ylpropan-1-ol is C#C.OCCCN1CCCCC1.
What is the InChIKey of acetylene;3-piperidin-1-ylpropan-1-ol?
The InChIKey is BHGVMLCNRKXIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.C2H2/c10-8-4-7-9-5-2-1-3-6-9;1-2/h10H,1-8H2;1-2H.
What are the key properties of acetylene;3-piperidin-1-ylpropan-1-ol?
acetylene;3-piperidin-1-ylpropan-1-ol has a molecular weight of 169.27 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;3-piperidin-1-ylpropan-1-ol is sourced from PubChem (CID 162683866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).