1-[methyl-[3-(3-piperidin-1-ylpropoxy)propyl]amino]hex-4-yn-3-ol

C18H34N2O2 — CID 174081613

IUPAC1-[methyl-[3-(3-piperidin-1-ylpropoxy)propyl]amino]hex-4-yn-3-ol
SMILESCC#CC(O)CCN(C)CCCOCCCN1CCCCC1
InChIInChI=1S/C18H34N2O2/c1-3-9-18(21)10-15-19(2)11-7-16-22-17-8-14-20-12-5-4-6-13-20/h18,21H,4-8,10-17H2,1-2H3
InChIKeyWYJOLLLLVALFFX-UHFFFAOYSA-N
MW310.48 g/mol
LogP1.98
Rot. Bonds11

About 1-[methyl-[3-(3-piperidin-1-ylpropoxy)propyl]amino]hex-4-yn-3-ol

1-[methyl-[3-(3-piperidin-1-ylpropoxy)propyl]amino]hex-4-yn-3-ol (PubChem CID 174081613) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is 1-[methyl-[3-(3-piperidin-1-ylpropoxy)propyl]amino]hex-4-yn-3-ol.

Molecular Properties

Compound Name1-[methyl-[3-(3-piperidin-1-ylpropoxy)propyl]amino]hex-4-yn-3-ol
PubChem CID174081613
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Name1-[methyl-[3-(3-piperidin-1-ylpropoxy)propyl]amino]hex-4-yn-3-ol
SMILESCC#CC(O)CCN(C)CCCOCCCN1CCCCC1
InChIInChI=1S/C18H34N2O2/c1-3-9-18(21)10-15-19(2)11-7-16-22-17-8-14-20-12-5-4-6-13-20/h18,21H,4-8,10-17H2,1-2H3
InChIKeyWYJOLLLLVALFFX-UHFFFAOYSA-N
XLogP1.98
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-(2-piperidin-1-ylethoxy)hept-2-yn-4-ol
CID 174081416
N-(3-hex-4-ynoxypropyl)-N-methyl-3-piperidin-1-ylpropan-1-amine
CID 174081593
N-methyl-N-[2-(2-piperidin-1-ylethoxy)ethyl]butan-1-amine
CID 172611817
N-(3-methoxypropyl)-N-methyl-3-piperidin-1-ylpropan-1-amine
CID 135181988
N,N'-dimethyl-N'-[2-[methyl-[2-(2-pyrrolidin-1-ylethoxy)ethyl]amino]ethyl]-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 118891655
2-[2-[2-[methyl-[2-(2-pyrrolidin-1-ylethoxy)ethyl]amino]ethoxy]ethoxy]ethanol
CID 118891602
N'-methyl-N'-(3-piperidin-1-ylpropyl)propane-1,3-diamine
CID 155107025
N'-methyl-N'-[2-(2-pyrrolidin-1-ylethoxy)ethyl]ethane-1,2-diamine
CID 118889595
1-[3-(2-ethoxyethoxy)propyl]pyrrolidine
CID 58400633
1-[2-(2-decoxyethoxy)ethyl]piperidine
CID 175686195
1-[2-(3-piperidin-1-ylpropoxy)ethylamino]pent-3-yn-2-one
CID 174081600
2-[methyl-[2-[2-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethoxy]ethoxy]ethyl]amino]ethanol
CID 118891624

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[3-(3-piperidin-1-ylpropoxy)propyl]amino]hex-4-yn-3-ol?
The IUPAC name of 1-[methyl-[3-(3-piperidin-1-ylpropoxy)propyl]amino]hex-4-yn-3-ol (CID 174081613) is 1-[methyl-[3-(3-piperidin-1-ylpropoxy)propyl]amino]hex-4-yn-3-ol.
What is the SMILES notation for 1-[methyl-[3-(3-piperidin-1-ylpropoxy)propyl]amino]hex-4-yn-3-ol?
The canonical SMILES for 1-[methyl-[3-(3-piperidin-1-ylpropoxy)propyl]amino]hex-4-yn-3-ol is CC#CC(O)CCN(C)CCCOCCCN1CCCCC1.
What is the InChIKey of 1-[methyl-[3-(3-piperidin-1-ylpropoxy)propyl]amino]hex-4-yn-3-ol?
The InChIKey is WYJOLLLLVALFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-3-9-18(21)10-15-19(2)11-7-16-22-17-8-14-20-12-5-4-6-13-20/h18,21H,4-8,10-17H2,1-2H3.
What are the key properties of 1-[methyl-[3-(3-piperidin-1-ylpropoxy)propyl]amino]hex-4-yn-3-ol?
1-[methyl-[3-(3-piperidin-1-ylpropoxy)propyl]amino]hex-4-yn-3-ol has a molecular weight of 310.48 g/mol, XLogP of 1.98, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[3-(3-piperidin-1-ylpropoxy)propyl]amino]hex-4-yn-3-ol is sourced from PubChem (CID 174081613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).