2-[1-[2-methyl-2-(propylaminomethyl)butyl]piperidin-4-yl]oxyethanol

C16H34N2O2 — CID 82690867

IUPAC2-[1-[2-methyl-2-(propylaminomethyl)butyl]piperidin-4-yl]oxyethanol
SMILESCCCNCC(C)(CC)CN1CCC(OCCO)CC1
InChIInChI=1S/C16H34N2O2/c1-4-8-17-13-16(3,5-2)14-18-9-6-15(7-10-18)20-12-11-19/h15,17,19H,4-14H2,1-3H3
InChIKeyJOMWSTFWHBNLTF-UHFFFAOYSA-N
MW286.46 g/mol
LogP1.88
Rot. Bonds10

About 2-[1-[2-methyl-2-(propylaminomethyl)butyl]piperidin-4-yl]oxyethanol

2-[1-[2-methyl-2-(propylaminomethyl)butyl]piperidin-4-yl]oxyethanol (PubChem CID 82690867) has the molecular formula C16H34N2O2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 2-[1-[2-methyl-2-(propylaminomethyl)butyl]piperidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-[2-methyl-2-(propylaminomethyl)butyl]piperidin-4-yl]oxyethanol
PubChem CID82690867
Molecular FormulaC16H34N2O2
Molecular Weight286.46 g/mol
Exact Mass286.26
IUPAC Name2-[1-[2-methyl-2-(propylaminomethyl)butyl]piperidin-4-yl]oxyethanol
SMILESCCCNCC(C)(CC)CN1CCC(OCCO)CC1
InChIInChI=1S/C16H34N2O2/c1-4-8-17-13-16(3,5-2)14-18-9-6-15(7-10-18)20-12-11-19/h15,17,19H,4-14H2,1-3H3
InChIKeyJOMWSTFWHBNLTF-UHFFFAOYSA-N
XLogP1.88
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-ethoxypiperidin-1-yl)methyl]-N-ethyl-2-methylbutan-1-amine
CID 62257768
2-[(4-ethylpiperazin-1-yl)methyl]-2-methyl-N-propylbutan-1-amine
CID 62263159
3-[4-(2-hydroxyethoxy)piperidin-1-yl]-2,2-dimethylpropan-1-ol
CID 115773133
3-methyl-1-[2-methyl-2-(propylaminomethyl)butyl]piperidin-4-ol
CID 114681883
2-methyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-N-propylbutan-1-amine
CID 62776591
N-tert-butyl-2-[(4-ethoxypiperidin-1-yl)methyl]-2-methylbutan-1-amine
CID 62258109
1-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-(propylamino)ethanone
CID 82695486
3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxypropan-1-ol
CID 115883361
1-[2-methyl-2-(propylaminomethyl)pentyl]pyrrolidin-3-ol
CID 55131551
2-[1-[[2-(propylamino)-4-pyridinyl]methyl]piperidin-4-yl]oxyethanol
CID 82684948
2-[1-[[2-(propylamino)cyclopentyl]methyl]piperidin-4-yl]oxyethanol
CID 82690868
2-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanol
CID 115771078

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-methyl-2-(propylaminomethyl)butyl]piperidin-4-yl]oxyethanol?
The IUPAC name of 2-[1-[2-methyl-2-(propylaminomethyl)butyl]piperidin-4-yl]oxyethanol (CID 82690867) is 2-[1-[2-methyl-2-(propylaminomethyl)butyl]piperidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[1-[2-methyl-2-(propylaminomethyl)butyl]piperidin-4-yl]oxyethanol?
The canonical SMILES for 2-[1-[2-methyl-2-(propylaminomethyl)butyl]piperidin-4-yl]oxyethanol is CCCNCC(C)(CC)CN1CCC(OCCO)CC1.
What is the InChIKey of 2-[1-[2-methyl-2-(propylaminomethyl)butyl]piperidin-4-yl]oxyethanol?
The InChIKey is JOMWSTFWHBNLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O2/c1-4-8-17-13-16(3,5-2)14-18-9-6-15(7-10-18)20-12-11-19/h15,17,19H,4-14H2,1-3H3.
What are the key properties of 2-[1-[2-methyl-2-(propylaminomethyl)butyl]piperidin-4-yl]oxyethanol?
2-[1-[2-methyl-2-(propylaminomethyl)butyl]piperidin-4-yl]oxyethanol has a molecular weight of 286.46 g/mol, XLogP of 1.88, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-methyl-2-(propylaminomethyl)butyl]piperidin-4-yl]oxyethanol is sourced from PubChem (CID 82690867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).