methyl 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propanoate

C14H26N2O2 — CID 43774735

IUPACmethyl 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propanoate
SMILESCOC(=O)CCNC1CCN(CC=C(C)C)CC1
InChIInChI=1S/C14H26N2O2/c1-12(2)5-9-16-10-6-13(7-11-16)15-8-4-14(17)18-3/h5,13,15H,4,6-11H2,1-3H3
InChIKeyOICLUCIRRCZWOA-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.57
Rot. Bonds6

About methyl 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propanoate

methyl 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propanoate (PubChem CID 43774735) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is methyl 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propanoate
PubChem CID43774735
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Namemethyl 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propanoate
SMILESCOC(=O)CCNC1CCN(CC=C(C)C)CC1
InChIInChI=1S/C14H26N2O2/c1-12(2)5-9-16-10-6-13(7-11-16)15-8-4-14(17)18-3/h5,13,15H,4,6-11H2,1-3H3
InChIKeyOICLUCIRRCZWOA-UHFFFAOYSA-N
XLogP1.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propanoate with MolForge

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Related Compounds

3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 43768079
3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-N-propan-2-ylpropanamide
CID 115709099
N-(5-methoxypentyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 103779857
N-ethyl-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43755150
1-(3-methylbut-2-enyl)-N-octylpiperidin-4-amine
CID 115566614
4-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-2-ol
CID 64911106
6-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]hexan-1-ol
CID 103922270
1-(3-methylbut-2-enyl)-N-(4,4,4-trifluorobutyl)piperidin-4-amine
CID 81343467
1-(3-methylbut-2-enyl)-N-(2-morpholin-4-ylethyl)piperidin-4-amine
CID 43764214
1-(3-methylbut-2-enyl)-N-prop-2-enylpiperidin-4-amine
CID 43755403
methyl 3-(piperidin-4-ylamino)propanoate
CID 54537076
methyl 3-(4-acetamidopiperidin-1-yl)propanoate
CID 49438939

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propanoate?
The IUPAC name of methyl 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propanoate (CID 43774735) is methyl 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propanoate.
What is the SMILES notation for methyl 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propanoate?
The canonical SMILES for methyl 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propanoate is COC(=O)CCNC1CCN(CC=C(C)C)CC1.
What is the InChIKey of methyl 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propanoate?
The InChIKey is OICLUCIRRCZWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-12(2)5-9-16-10-6-13(7-11-16)15-8-4-14(17)18-3/h5,13,15H,4,6-11H2,1-3H3.
What are the key properties of methyl 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propanoate?
methyl 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propanoate has a molecular weight of 254.37 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propanoate is sourced from PubChem (CID 43774735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).