[3-(1-aminoethyl)piperidin-1-yl]-(2,4,5-trimethyloxolan-3-yl)methanone

C15H28N2O2 — CID 65160690

IUPAC[3-(1-aminoethyl)piperidin-1-yl]-(2,4,5-trimethyloxolan-3-yl)methanone
SMILESCC(N)C1CCCN(C(=O)C2C(C)OC(C)C2C)C1
InChIInChI=1S/C15H28N2O2/c1-9-11(3)19-12(4)14(9)15(18)17-7-5-6-13(8-17)10(2)16/h9-14H,5-8,16H2,1-4H3
InChIKeyANSBFJWNGMQOFL-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.63
Rot. Bonds2

About [3-(1-aminoethyl)piperidin-1-yl]-(2,4,5-trimethyloxolan-3-yl)methanone

[3-(1-aminoethyl)piperidin-1-yl]-(2,4,5-trimethyloxolan-3-yl)methanone (PubChem CID 65160690) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is [3-(1-aminoethyl)piperidin-1-yl]-(2,4,5-trimethyloxolan-3-yl)methanone.

Molecular Properties

Compound Name[3-(1-aminoethyl)piperidin-1-yl]-(2,4,5-trimethyloxolan-3-yl)methanone
PubChem CID65160690
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name[3-(1-aminoethyl)piperidin-1-yl]-(2,4,5-trimethyloxolan-3-yl)methanone
SMILESCC(N)C1CCCN(C(=O)C2C(C)OC(C)C2C)C1
InChIInChI=1S/C15H28N2O2/c1-9-11(3)19-12(4)14(9)15(18)17-7-5-6-13(8-17)10(2)16/h9-14H,5-8,16H2,1-4H3
InChIKeyANSBFJWNGMQOFL-UHFFFAOYSA-N
XLogP1.63
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(1-aminoethyl)piperidin-1-yl]-(7-bicyclo[4.1.0]heptanyl)methanone;hydrochloride
CID 119594774
(3-bromopiperidin-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanone
CID 80660679
[3-(1-aminoethyl)piperidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride
CID 119595332
[3-(1-aminoethyl)piperidin-1-yl]-cycloheptylmethanone;hydrochloride
CID 119595993
[2-[3-(1-aminoethyl)piperidine-1-carbonyl]cyclohexyl]-pyrrolidin-1-ylmethanone
CID 119594689
[3-(1-aminoethyl)piperidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119260950
1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 65157522
methyl (3S)-3-[(1R)-1-aminoethyl]piperidine-1-carboxylate
CID 95320381
1-[3-(1-aminoethyl)piperidin-1-yl]-2-cyclopropylpropan-1-one;hydrochloride
CID 119594099
[3-(bromomethyl)pyrrolidin-1-yl]-(2,4,5-trimethyloxolan-3-yl)methanone
CID 80666651
[3-(1-aminoethyl)piperidin-1-yl]-(2-cyclohexylcyclopropyl)methanone
CID 119593107
(Z)-1-[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-methylbut-2-en-1-one
CID 99702679

Frequently Asked Questions

What is the IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-(2,4,5-trimethyloxolan-3-yl)methanone?
The IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-(2,4,5-trimethyloxolan-3-yl)methanone (CID 65160690) is [3-(1-aminoethyl)piperidin-1-yl]-(2,4,5-trimethyloxolan-3-yl)methanone.
What is the SMILES notation for [3-(1-aminoethyl)piperidin-1-yl]-(2,4,5-trimethyloxolan-3-yl)methanone?
The canonical SMILES for [3-(1-aminoethyl)piperidin-1-yl]-(2,4,5-trimethyloxolan-3-yl)methanone is CC(N)C1CCCN(C(=O)C2C(C)OC(C)C2C)C1.
What is the InChIKey of [3-(1-aminoethyl)piperidin-1-yl]-(2,4,5-trimethyloxolan-3-yl)methanone?
The InChIKey is ANSBFJWNGMQOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-9-11(3)19-12(4)14(9)15(18)17-7-5-6-13(8-17)10(2)16/h9-14H,5-8,16H2,1-4H3.
What are the key properties of [3-(1-aminoethyl)piperidin-1-yl]-(2,4,5-trimethyloxolan-3-yl)methanone?
[3-(1-aminoethyl)piperidin-1-yl]-(2,4,5-trimethyloxolan-3-yl)methanone has a molecular weight of 268.40 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-aminoethyl)piperidin-1-yl]-(2,4,5-trimethyloxolan-3-yl)methanone is sourced from PubChem (CID 65160690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).