2-(aminomethyl)-1-(3-hydroxy-4-methylpiperidin-1-yl)-2-propylpentan-1-one

C15H30N2O2 — CID 102956890

IUPAC2-(aminomethyl)-1-(3-hydroxy-4-methylpiperidin-1-yl)-2-propylpentan-1-one
SMILESCCCC(CN)(CCC)C(=O)N1CCC(C)C(O)C1
InChIInChI=1S/C15H30N2O2/c1-4-7-15(11-16,8-5-2)14(19)17-9-6-12(3)13(18)10-17/h12-13,18H,4-11,16H2,1-3H3
InChIKeyGRTFLUVEFNRZNV-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.76
Rot. Bonds6

About 2-(aminomethyl)-1-(3-hydroxy-4-methylpiperidin-1-yl)-2-propylpentan-1-one

2-(aminomethyl)-1-(3-hydroxy-4-methylpiperidin-1-yl)-2-propylpentan-1-one (PubChem CID 102956890) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(3-hydroxy-4-methylpiperidin-1-yl)-2-propylpentan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-1-(3-hydroxy-4-methylpiperidin-1-yl)-2-propylpentan-1-one
PubChem CID102956890
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name2-(aminomethyl)-1-(3-hydroxy-4-methylpiperidin-1-yl)-2-propylpentan-1-one
SMILESCCCC(CN)(CCC)C(=O)N1CCC(C)C(O)C1
InChIInChI=1S/C15H30N2O2/c1-4-7-15(11-16,8-5-2)14(19)17-9-6-12(3)13(18)10-17/h12-13,18H,4-11,16H2,1-3H3
InChIKeyGRTFLUVEFNRZNV-UHFFFAOYSA-N
XLogP1.76
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-1-(3-hydroxypyrrolidin-1-yl)-2-propylpentan-1-one
CID 62941721
2-(aminomethyl)-1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methylbutan-1-one
CID 102956889
2-(aminomethyl)-1-[3-(diethylamino)pyrrolidin-1-yl]-2-propylpentan-1-one
CID 63164953
2-(aminomethyl)-2-ethyl-1-(3-hydroxypyrrolidin-1-yl)butan-1-one
CID 62942263
2-(aminomethyl)-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-propylpentan-1-one
CID 81464919
2-(aminomethyl)-1-(2,3-dimethylpiperidin-1-yl)-2-propylpentan-1-one
CID 62124809
2-(3-hydroxy-4-methylpiperidine-1-carbonyl)-2-methylbutanenitrile
CID 102957679
1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methoxy-2-methylpropan-1-one
CID 103900310
2-(ethylamino)-1-(3-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 102957086
N,N-diethyl-3-hydroxy-4-methylpiperidine-1-carboxamide
CID 103896864
1-(3-hydroxy-4-methylpiperidin-1-yl)decan-1-one
CID 103900332
[2-(aminomethyl)cyclohexyl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102957097

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(3-hydroxy-4-methylpiperidin-1-yl)-2-propylpentan-1-one?
The IUPAC name of 2-(aminomethyl)-1-(3-hydroxy-4-methylpiperidin-1-yl)-2-propylpentan-1-one (CID 102956890) is 2-(aminomethyl)-1-(3-hydroxy-4-methylpiperidin-1-yl)-2-propylpentan-1-one.
What is the SMILES notation for 2-(aminomethyl)-1-(3-hydroxy-4-methylpiperidin-1-yl)-2-propylpentan-1-one?
The canonical SMILES for 2-(aminomethyl)-1-(3-hydroxy-4-methylpiperidin-1-yl)-2-propylpentan-1-one is CCCC(CN)(CCC)C(=O)N1CCC(C)C(O)C1.
What is the InChIKey of 2-(aminomethyl)-1-(3-hydroxy-4-methylpiperidin-1-yl)-2-propylpentan-1-one?
The InChIKey is GRTFLUVEFNRZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-4-7-15(11-16,8-5-2)14(19)17-9-6-12(3)13(18)10-17/h12-13,18H,4-11,16H2,1-3H3.
What are the key properties of 2-(aminomethyl)-1-(3-hydroxy-4-methylpiperidin-1-yl)-2-propylpentan-1-one?
2-(aminomethyl)-1-(3-hydroxy-4-methylpiperidin-1-yl)-2-propylpentan-1-one has a molecular weight of 270.42 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(3-hydroxy-4-methylpiperidin-1-yl)-2-propylpentan-1-one is sourced from PubChem (CID 102956890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).