1-[2-(aminomethyl)piperidin-1-yl]-3-(4-methylpentan-2-yloxy)propan-1-one;hydrochloride

C15H31ClN2O2 — CID 119469367

IUPAC1-[2-(aminomethyl)piperidin-1-yl]-3-(4-methylpentan-2-yloxy)propan-1-one;hydrochloride
SMILESCC(C)CC(C)OCCC(=O)N1CCCCC1CN.Cl
InChIInChI=1S/C15H30N2O2.ClH/c1-12(2)10-13(3)19-9-7-15(18)17-8-5-4-6-14(17)11-16;/h12-14H,4-11,16H2,1-3H3;1H
InChIKeySQDAQLXKOQEHOF-UHFFFAOYSA-N
MW306.88 g/mol
LogP2.59
Rot. Bonds7

About 1-[2-(aminomethyl)piperidin-1-yl]-3-(4-methylpentan-2-yloxy)propan-1-one;hydrochloride

1-[2-(aminomethyl)piperidin-1-yl]-3-(4-methylpentan-2-yloxy)propan-1-one;hydrochloride (PubChem CID 119469367) has the molecular formula C15H31ClN2O2 and a molecular weight of 306.88 g/mol. Its IUPAC name is 1-[2-(aminomethyl)piperidin-1-yl]-3-(4-methylpentan-2-yloxy)propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[2-(aminomethyl)piperidin-1-yl]-3-(4-methylpentan-2-yloxy)propan-1-one;hydrochloride
PubChem CID119469367
Molecular FormulaC15H31ClN2O2
Molecular Weight306.88 g/mol
Exact Mass306.21
IUPAC Name1-[2-(aminomethyl)piperidin-1-yl]-3-(4-methylpentan-2-yloxy)propan-1-one;hydrochloride
SMILESCC(C)CC(C)OCCC(=O)N1CCCCC1CN.Cl
InChIInChI=1S/C15H30N2O2.ClH/c1-12(2)10-13(3)19-9-7-15(18)17-8-5-4-6-14(17)11-16;/h12-14H,4-11,16H2,1-3H3;1H
InChIKeySQDAQLXKOQEHOF-UHFFFAOYSA-N
XLogP2.59
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.88
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(4-methylpentan-2-yloxy)propan-1-one;hydrochloride
CID 119634234
1-[2-(aminomethyl)azepan-1-yl]-4-methoxypentan-1-one
CID 116640028
3-amino-1-[2-(2-methylpropyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119334196
1-[2-(aminomethyl)piperidin-1-yl]decan-1-one
CID 65428281
1-[(2R)-2-(aminomethyl)piperidin-1-yl]tridecan-1-one
CID 129384436
1-[2-(aminomethyl)piperidin-1-yl]-3-(4-propan-2-ylphenoxy)propan-1-one
CID 119466873
1-[2-(aminomethyl)piperidin-1-yl]-3-ethylpentan-1-one
CID 119467538
1-(4-hydroxypiperidin-1-yl)-3-(4-methylpentan-2-yloxy)propan-1-one
CID 71856930
N-[3-[2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]-2,2-dimethylpropanamide;hydrochloride
CID 119466693
1-[2-(aminomethyl)piperidin-1-yl]-2,3-dimethylbutan-1-one;hydrochloride
CID 119466546
1-[2-(2-aminoethyl)piperidin-1-yl]-3-methoxypropan-1-one
CID 63755020
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(2-methoxyethoxy)ethanone;hydrochloride
CID 119633758

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)piperidin-1-yl]-3-(4-methylpentan-2-yloxy)propan-1-one;hydrochloride?
The IUPAC name of 1-[2-(aminomethyl)piperidin-1-yl]-3-(4-methylpentan-2-yloxy)propan-1-one;hydrochloride (CID 119469367) is 1-[2-(aminomethyl)piperidin-1-yl]-3-(4-methylpentan-2-yloxy)propan-1-one;hydrochloride.
What is the SMILES notation for 1-[2-(aminomethyl)piperidin-1-yl]-3-(4-methylpentan-2-yloxy)propan-1-one;hydrochloride?
The canonical SMILES for 1-[2-(aminomethyl)piperidin-1-yl]-3-(4-methylpentan-2-yloxy)propan-1-one;hydrochloride is CC(C)CC(C)OCCC(=O)N1CCCCC1CN.Cl.
What is the InChIKey of 1-[2-(aminomethyl)piperidin-1-yl]-3-(4-methylpentan-2-yloxy)propan-1-one;hydrochloride?
The InChIKey is SQDAQLXKOQEHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2.ClH/c1-12(2)10-13(3)19-9-7-15(18)17-8-5-4-6-14(17)11-16;/h12-14H,4-11,16H2,1-3H3;1H.
What are the key properties of 1-[2-(aminomethyl)piperidin-1-yl]-3-(4-methylpentan-2-yloxy)propan-1-one;hydrochloride?
1-[2-(aminomethyl)piperidin-1-yl]-3-(4-methylpentan-2-yloxy)propan-1-one;hydrochloride has a molecular weight of 306.88 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)piperidin-1-yl]-3-(4-methylpentan-2-yloxy)propan-1-one;hydrochloride is sourced from PubChem (CID 119469367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).