2-(aminomethyl)-1-[4-(1-hydroxyethyl)piperidin-1-yl]pentan-1-one

C13H26N2O2 — CID 106835724

IUPAC2-(aminomethyl)-1-[4-(1-hydroxyethyl)piperidin-1-yl]pentan-1-one
SMILESCCCC(CN)C(=O)N1CCC(C(C)O)CC1
InChIInChI=1S/C13H26N2O2/c1-3-4-12(9-14)13(17)15-7-5-11(6-8-15)10(2)16/h10-12,16H,3-9,14H2,1-2H3
InChIKeyMGUILTCAHXDXLR-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.98
Rot. Bonds5

About 2-(aminomethyl)-1-[4-(1-hydroxyethyl)piperidin-1-yl]pentan-1-one

2-(aminomethyl)-1-[4-(1-hydroxyethyl)piperidin-1-yl]pentan-1-one (PubChem CID 106835724) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-(aminomethyl)-1-[4-(1-hydroxyethyl)piperidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-1-[4-(1-hydroxyethyl)piperidin-1-yl]pentan-1-one
PubChem CID106835724
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-(aminomethyl)-1-[4-(1-hydroxyethyl)piperidin-1-yl]pentan-1-one
SMILESCCCC(CN)C(=O)N1CCC(C(C)O)CC1
InChIInChI=1S/C13H26N2O2/c1-3-4-12(9-14)13(17)15-7-5-11(6-8-15)10(2)16/h10-12,16H,3-9,14H2,1-2H3
InChIKeyMGUILTCAHXDXLR-UHFFFAOYSA-N
XLogP0.98
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-1-(4-methylazepan-1-yl)pentan-1-one
CID 63622647
2-(aminomethyl)-1-(4-butan-2-ylpiperazin-1-yl)pentan-1-one
CID 62773291
2-(aminomethyl)-1-(4-phenylpiperidin-1-yl)pentan-1-one
CID 65229548
2-(aminomethyl)-1-[4-(2-methoxyacetyl)piperazin-1-yl]pentan-1-one
CID 65227640
2-(aminomethyl)-1-(4,4-dimethylazepan-1-yl)pentan-1-one
CID 65281608
(3S)-1-[2-(aminomethyl)pentanoyl]piperidine-3-carboxylic acid
CID 81126128
2-amino-1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-methylpentan-1-one
CID 103810273
2-(aminomethyl)-1-(2,6-dimethylthiomorpholin-4-yl)pentan-1-one
CID 65228076
(2R)-2-chloro-1-[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one
CID 129410243
1-(3-aminopyrrolidin-1-yl)-2-propylpentan-1-one
CID 82987887
2-(aminomethyl)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pentan-1-one
CID 107217982
2-(aminomethyl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-one
CID 62968051

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-[4-(1-hydroxyethyl)piperidin-1-yl]pentan-1-one?
The IUPAC name of 2-(aminomethyl)-1-[4-(1-hydroxyethyl)piperidin-1-yl]pentan-1-one (CID 106835724) is 2-(aminomethyl)-1-[4-(1-hydroxyethyl)piperidin-1-yl]pentan-1-one.
What is the SMILES notation for 2-(aminomethyl)-1-[4-(1-hydroxyethyl)piperidin-1-yl]pentan-1-one?
The canonical SMILES for 2-(aminomethyl)-1-[4-(1-hydroxyethyl)piperidin-1-yl]pentan-1-one is CCCC(CN)C(=O)N1CCC(C(C)O)CC1.
What is the InChIKey of 2-(aminomethyl)-1-[4-(1-hydroxyethyl)piperidin-1-yl]pentan-1-one?
The InChIKey is MGUILTCAHXDXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-4-12(9-14)13(17)15-7-5-11(6-8-15)10(2)16/h10-12,16H,3-9,14H2,1-2H3.
What are the key properties of 2-(aminomethyl)-1-[4-(1-hydroxyethyl)piperidin-1-yl]pentan-1-one?
2-(aminomethyl)-1-[4-(1-hydroxyethyl)piperidin-1-yl]pentan-1-one has a molecular weight of 242.36 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-[4-(1-hydroxyethyl)piperidin-1-yl]pentan-1-one is sourced from PubChem (CID 106835724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).