[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-ethyl-4-methylpiperidin-1-yl)methanone

C14H26N2O2 — CID 120791432

IUPAC[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-ethyl-4-methylpiperidin-1-yl)methanone
SMILESCCC1(C)CCN(C(=O)[C@@H]2CC[C@H](CN)O2)CC1
InChIInChI=1S/C14H26N2O2/c1-3-14(2)6-8-16(9-7-14)13(17)12-5-4-11(10-15)18-12/h11-12H,3-10,15H2,1-2H3/t11-,12+/m1/s1
InChIKeyUELBEWJZYUWERC-NEPJUHHUSA-N
MW254.37 g/mol
LogP1.53
Rot. Bonds3

About [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-ethyl-4-methylpiperidin-1-yl)methanone

[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-ethyl-4-methylpiperidin-1-yl)methanone (PubChem CID 120791432) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-ethyl-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-ethyl-4-methylpiperidin-1-yl)methanone
PubChem CID120791432
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-ethyl-4-methylpiperidin-1-yl)methanone
SMILESCCC1(C)CCN(C(=O)[C@@H]2CC[C@H](CN)O2)CC1
InChIInChI=1S/C14H26N2O2/c1-3-14(2)6-8-16(9-7-14)13(17)12-5-4-11(10-15)18-12/h11-12H,3-10,15H2,1-2H3/t11-,12+/m1/s1
InChIKeyUELBEWJZYUWERC-NEPJUHHUSA-N
XLogP1.53
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 120795128
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-propan-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 120795127
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-ethylsulfonylpiperazin-1-yl)methanone
CID 120785954
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-azaspiro[4.5]decan-2-yl)methanone
CID 120795064
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 120795669
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(3-ethylpyrrolidin-1-yl)methanone
CID 120796524
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone
CID 120791334
1-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-2-(diethylamino)ethanone
CID 120799860
[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-cyclohexylmethanone
CID 120790356
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(3,5-dimethylpiperidin-1-yl)methanone;hydrochloride
CID 120782805
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 120792330
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 120795296

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-ethyl-4-methylpiperidin-1-yl)methanone?
The IUPAC name of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-ethyl-4-methylpiperidin-1-yl)methanone (CID 120791432) is [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-ethyl-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-ethyl-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-ethyl-4-methylpiperidin-1-yl)methanone is CCC1(C)CCN(C(=O)[C@@H]2CC[C@H](CN)O2)CC1.
What is the InChIKey of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-ethyl-4-methylpiperidin-1-yl)methanone?
The InChIKey is UELBEWJZYUWERC-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-3-14(2)6-8-16(9-7-14)13(17)12-5-4-11(10-15)18-12/h11-12H,3-10,15H2,1-2H3/t11-,12+/m1/s1.
What are the key properties of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-ethyl-4-methylpiperidin-1-yl)methanone?
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-ethyl-4-methylpiperidin-1-yl)methanone has a molecular weight of 254.37 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-ethyl-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 120791432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).