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

C14H26N2O2 — CID 120795128

IUPAC[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCC(C)C1CCN(C(=O)[C@@H]2CC[C@H](CN)O2)CC1
InChIInChI=1S/C14H26N2O2/c1-10(2)11-5-7-16(8-6-11)14(17)13-4-3-12(9-15)18-13/h10-13H,3-9,15H2,1-2H3/t12-,13+/m1/s1
InChIKeyPANXWJGUMOPZIQ-OLZOCXBDSA-N
MW254.37 g/mol
LogP1.39
Rot. Bonds3

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

[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-propan-2-ylpiperidin-1-yl)methanone (PubChem CID 120795128) 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-propan-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
PubChem CID120795128
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCC(C)C1CCN(C(=O)[C@@H]2CC[C@H](CN)O2)CC1
InChIInChI=1S/C14H26N2O2/c1-10(2)11-5-7-16(8-6-11)14(17)13-4-3-12(9-15)18-13/h10-13H,3-9,15H2,1-2H3/t12-,13+/m1/s1
InChIKeyPANXWJGUMOPZIQ-OLZOCXBDSA-N
XLogP1.39
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 ≤ 51.39
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;hydrochloride
CID 120795127
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(3-ethylpyrrolidin-1-yl)methanone
CID 120796524
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-ethylsulfonylpiperazin-1-yl)methanone
CID 120785954
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 120792330
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 120791432
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methanone;dihydrochloride
CID 120801503
1-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-2-(diethylamino)ethanone
CID 120799860
2-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 120797474
2-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one;dihydrochloride
CID 120801445
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone
CID 120793668
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(3,5-dimethylpiperidin-1-yl)methanone;hydrochloride
CID 120782805
[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-cyclohexylmethanone
CID 120790356

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-propan-2-ylpiperidin-1-yl)methanone?
The IUPAC name of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-propan-2-ylpiperidin-1-yl)methanone (CID 120795128) is [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-propan-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-propan-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-propan-2-ylpiperidin-1-yl)methanone is CC(C)C1CCN(C(=O)[C@@H]2CC[C@H](CN)O2)CC1.
What is the InChIKey of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-propan-2-ylpiperidin-1-yl)methanone?
The InChIKey is PANXWJGUMOPZIQ-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-10(2)11-5-7-16(8-6-11)14(17)13-4-3-12(9-15)18-13/h10-13H,3-9,15H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-propan-2-ylpiperidin-1-yl)methanone?
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-propan-2-ylpiperidin-1-yl)methanone has a molecular weight of 254.37 g/mol, XLogP of 1.39, 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-propan-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 120795128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).