3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propane-1,2-diol

C13H26N2O2 — CID 66177156

IUPAC3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propane-1,2-diol
SMILESCC(C)=CCN1CCC(NCC(O)CO)CC1
InChIInChI=1S/C13H26N2O2/c1-11(2)3-6-15-7-4-12(5-8-15)14-9-13(17)10-16/h3,12-14,16-17H,4-10H2,1-2H3
InChIKeyZPEMGHXZMDRTND-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.36
Rot. Bonds6

About 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propane-1,2-diol

3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propane-1,2-diol (PubChem CID 66177156) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propane-1,2-diol
PubChem CID66177156
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propane-1,2-diol
SMILESCC(C)=CCN1CCC(NCC(O)CO)CC1
InChIInChI=1S/C13H26N2O2/c1-11(2)3-6-15-7-4-12(5-8-15)14-9-13(17)10-16/h3,12-14,16-17H,4-10H2,1-2H3
InChIKeyZPEMGHXZMDRTND-UHFFFAOYSA-N
XLogP0.36
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43755150
4-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-2-ol
CID 64911106
1-(3-methylbut-2-enyl)-N-prop-2-enylpiperidin-4-amine
CID 43755403
6-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]hexan-1-ol
CID 103922270
2,2-difluoro-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol
CID 113463353
N-cyclobutyl-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 62415331
1-(3-methylbut-2-enyl)-N-octylpiperidin-4-amine
CID 115566614
tert-butyl N-[1-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-2-yl]carbamate
CID 107248008
3-(cyclododecylamino)propane-1,2-diol
CID 66175077
1-[(1-ethylpiperidin-4-yl)amino]-4-methylpentan-2-ol
CID 115714806
1-(3-methylbut-2-enyl)-N-[(1-methylcyclobutyl)methyl]piperidin-4-amine
CID 103903178
3-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 103271380

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propane-1,2-diol?
The IUPAC name of 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propane-1,2-diol (CID 66177156) is 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propane-1,2-diol.
What is the SMILES notation for 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propane-1,2-diol?
The canonical SMILES for 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propane-1,2-diol is CC(C)=CCN1CCC(NCC(O)CO)CC1.
What is the InChIKey of 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propane-1,2-diol?
The InChIKey is ZPEMGHXZMDRTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-11(2)3-6-15-7-4-12(5-8-15)14-9-13(17)10-16/h3,12-14,16-17H,4-10H2,1-2H3.
What are the key properties of 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propane-1,2-diol?
3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propane-1,2-diol has a molecular weight of 242.36 g/mol, XLogP of 0.36, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propane-1,2-diol is sourced from PubChem (CID 66177156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).