[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(2-methylpropyl)piperidin-1-yl]methanone;hydrochloride

C15H29ClN2O2 — CID 120794811

IUPAC[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(2-methylpropyl)piperidin-1-yl]methanone;hydrochloride
SMILESCC(C)CC1CCCCN1C(=O)[C@@H]1CC[C@H](CN)O1.Cl
InChIInChI=1S/C15H28N2O2.ClH/c1-11(2)9-12-5-3-4-8-17(12)15(18)14-7-6-13(10-16)19-14;/h11-14H,3-10,16H2,1-2H3;1H/t12?,13-,14+;/m1./s1
InChIKeyOAYIIMXKSVCHFV-XGNHNWJLSA-N
MW304.86 g/mol
LogP2.34
Rot. Bonds4

About [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(2-methylpropyl)piperidin-1-yl]methanone;hydrochloride

[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(2-methylpropyl)piperidin-1-yl]methanone;hydrochloride (PubChem CID 120794811) has the molecular formula C15H29ClN2O2 and a molecular weight of 304.86 g/mol. Its IUPAC name is [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(2-methylpropyl)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(2-methylpropyl)piperidin-1-yl]methanone;hydrochloride
PubChem CID120794811
Molecular FormulaC15H29ClN2O2
Molecular Weight304.86 g/mol
Exact Mass304.19
IUPAC Name[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(2-methylpropyl)piperidin-1-yl]methanone;hydrochloride
SMILESCC(C)CC1CCCCN1C(=O)[C@@H]1CC[C@H](CN)O1.Cl
InChIInChI=1S/C15H28N2O2.ClH/c1-11(2)9-12-5-3-4-8-17(12)15(18)14-7-6-13(10-16)19-14;/h11-14H,3-10,16H2,1-2H3;1H/t12?,13-,14+;/m1./s1
InChIKeyOAYIIMXKSVCHFV-XGNHNWJLSA-N
XLogP2.34
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.86
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(2-methylpropyl)piperidin-1-yl]methanone;hydrochloride with MolForge

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Related Compounds

[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-benzylpiperidin-1-yl)methanone;hydrochloride
CID 120791287
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-tert-butylpyrrolidin-1-yl)methanone;hydrochloride
CID 120791887
3-amino-1-[2-(2-methylpropyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119334196
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-propan-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 120795127
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,3-dimethylpyrrolidin-1-yl)methanone;hydrochloride
CID 120796305
(3-aminocyclopentyl)-[2-(2-methylpropyl)azepan-1-yl]methanone;hydrochloride
CID 119797212
2-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one;dihydrochloride
CID 120801445
N-[[1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-2-yl]methyl]benzamide
CID 120791374
3-amino-1-[2-(2-methylpropyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119802212
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 120795128
[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-cyclohexylmethanone
CID 120790356
[2-(2-aminoethyl)piperidin-1-yl]-(5-methyloxolan-2-yl)methanone
CID 81330585

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(2-methylpropyl)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(2-methylpropyl)piperidin-1-yl]methanone;hydrochloride (CID 120794811) is [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(2-methylpropyl)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(2-methylpropyl)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(2-methylpropyl)piperidin-1-yl]methanone;hydrochloride is CC(C)CC1CCCCN1C(=O)[C@@H]1CC[C@H](CN)O1.Cl.
What is the InChIKey of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(2-methylpropyl)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is OAYIIMXKSVCHFV-XGNHNWJLSA-N. The full InChI is InChI=1S/C15H28N2O2.ClH/c1-11(2)9-12-5-3-4-8-17(12)15(18)14-7-6-13(10-16)19-14;/h11-14H,3-10,16H2,1-2H3;1H/t12?,13-,14+;/m1./s1.
What are the key properties of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(2-methylpropyl)piperidin-1-yl]methanone;hydrochloride?
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(2-methylpropyl)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 304.86 g/mol, XLogP of 2.34, 4 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]-[2-(2-methylpropyl)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 120794811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).