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

C13H24N2O3 — CID 120792330

IUPAC[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1CCN(C(=O)[C@@H]2CC[C@H](CN)O2)CC1
InChIInChI=1S/C13H24N2O3/c1-17-9-10-4-6-15(7-5-10)13(16)12-3-2-11(8-14)18-12/h10-12H,2-9,14H2,1H3/t11-,12+/m1/s1
InChIKeyLNSQMIQPWXDLNV-NEPJUHHUSA-N
MW256.35 g/mol
LogP0.38
Rot. Bonds4

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

[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone (PubChem CID 120792330) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone
PubChem CID120792330
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1CCN(C(=O)[C@@H]2CC[C@H](CN)O2)CC1
InChIInChI=1S/C13H24N2O3/c1-17-9-10-4-6-15(7-5-10)13(16)12-3-2-11(8-14)18-12/h10-12H,2-9,14H2,1H3/t11-,12+/m1/s1
InChIKeyLNSQMIQPWXDLNV-NEPJUHHUSA-N
XLogP0.38
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 120792916
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(3-ethylpyrrolidin-1-yl)methanone
CID 120796524
[(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
2-[1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 120800116
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-ethylsulfonylpiperazin-1-yl)methanone
CID 120785954
[5-(aminomethyl)oxolan-2-yl]-(3-methoxypiperidin-1-yl)methanone
CID 102957664
[(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
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 120791432
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 120795169
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[(4R)-4-propoxyazepan-1-yl]methanone
CID 125118450

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone?
The IUPAC name of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone (CID 120792330) is [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone is COCC1CCN(C(=O)[C@@H]2CC[C@H](CN)O2)CC1.
What is the InChIKey of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone?
The InChIKey is LNSQMIQPWXDLNV-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-17-9-10-4-6-15(7-5-10)13(16)12-3-2-11(8-14)18-12/h10-12H,2-9,14H2,1H3/t11-,12+/m1/s1.
What are the key properties of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone?
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone has a molecular weight of 256.35 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 120792330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).