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

C14H27ClN2O2 — CID 120795127

IUPAC[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-propan-2-ylpiperidin-1-yl)methanone;hydrochloride
SMILESCC(C)C1CCN(C(=O)[C@@H]2CC[C@H](CN)O2)CC1.Cl
InChIInChI=1S/C14H26N2O2.ClH/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;1H/t12-,13+;/m1./s1
InChIKeyFUACLDHQZDNMFK-KZCZEQIWSA-N
MW290.84 g/mol
LogP1.81
Rot. Bonds3

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

[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-propan-2-ylpiperidin-1-yl)methanone;hydrochloride (PubChem CID 120795127) has the molecular formula C14H27ClN2O2 and a molecular weight of 290.84 g/mol. Its IUPAC name is [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-propan-2-ylpiperidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-propan-2-ylpiperidin-1-yl)methanone;hydrochloride
PubChem CID120795127
Molecular FormulaC14H27ClN2O2
Molecular Weight290.84 g/mol
Exact Mass290.18
IUPAC Name[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-propan-2-ylpiperidin-1-yl)methanone;hydrochloride
SMILESCC(C)C1CCN(C(=O)[C@@H]2CC[C@H](CN)O2)CC1.Cl
InChIInChI=1S/C14H26N2O2.ClH/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;1H/t12-,13+;/m1./s1
InChIKeyFUACLDHQZDNMFK-KZCZEQIWSA-N
XLogP1.81
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.84
LogP ≤ 51.81
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-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methanone;dihydrochloride
CID 120801503
[(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]-(3,5-dimethylpiperidin-1-yl)methanone;hydrochloride
CID 120782805
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]-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 120792330
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 120791432
[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone;hydrochloride
CID 120783849
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-ethylmorpholin-4-yl)methanone;hydrochloride
CID 120785589
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

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-propan-2-ylpiperidin-1-yl)methanone;hydrochloride?
The IUPAC name of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-propan-2-ylpiperidin-1-yl)methanone;hydrochloride (CID 120795127) is [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-propan-2-ylpiperidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-propan-2-ylpiperidin-1-yl)methanone;hydrochloride?
The canonical SMILES for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-propan-2-ylpiperidin-1-yl)methanone;hydrochloride is CC(C)C1CCN(C(=O)[C@@H]2CC[C@H](CN)O2)CC1.Cl.
What is the InChIKey of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-propan-2-ylpiperidin-1-yl)methanone;hydrochloride?
The InChIKey is FUACLDHQZDNMFK-KZCZEQIWSA-N. The full InChI is InChI=1S/C14H26N2O2.ClH/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;1H/t12-,13+;/m1./s1.
What are the key properties of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-propan-2-ylpiperidin-1-yl)methanone;hydrochloride?
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-propan-2-ylpiperidin-1-yl)methanone;hydrochloride has a molecular weight of 290.84 g/mol, XLogP of 1.81, 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;hydrochloride is sourced from PubChem (CID 120795127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).