1-[3-amino-3-(hydroxymethyl)piperidin-1-yl]-2-methylpentan-1-one

C12H24N2O2 — CID 165447253

IUPAC1-[3-amino-3-(hydroxymethyl)piperidin-1-yl]-2-methylpentan-1-one
SMILESCCCC(C)C(=O)N1CCCC(N)(CO)C1
InChIInChI=1S/C12H24N2O2/c1-3-5-10(2)11(16)14-7-4-6-12(13,8-14)9-15/h10,15H,3-9,13H2,1-2H3
InChIKeyKPDRJYYICXFPPG-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.73
Rot. Bonds4

About 1-[3-amino-3-(hydroxymethyl)piperidin-1-yl]-2-methylpentan-1-one

1-[3-amino-3-(hydroxymethyl)piperidin-1-yl]-2-methylpentan-1-one (PubChem CID 165447253) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-[3-amino-3-(hydroxymethyl)piperidin-1-yl]-2-methylpentan-1-one.

Molecular Properties

Compound Name1-[3-amino-3-(hydroxymethyl)piperidin-1-yl]-2-methylpentan-1-one
PubChem CID165447253
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-[3-amino-3-(hydroxymethyl)piperidin-1-yl]-2-methylpentan-1-one
SMILESCCCC(C)C(=O)N1CCCC(N)(CO)C1
InChIInChI=1S/C12H24N2O2/c1-3-5-10(2)11(16)14-7-4-6-12(13,8-14)9-15/h10,15H,3-9,13H2,1-2H3
InChIKeyKPDRJYYICXFPPG-UHFFFAOYSA-N
XLogP0.73
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-diazaspiro[3.5]nonan-6-yl)-2-methylpentan-1-one
CID 165465666
1-[3-amino-3-(hydroxymethyl)piperidin-1-yl]-3-methoxypropan-1-one
CID 165443963
tert-butyl (3S)-3-amino-3-(hydroxymethyl)piperidine-1-carboxylate
CID 96892899
tert-butyl 3-amino-3-(hydroxymethyl)piperidine-1-carboxylate
CID 82662965
1-[4-(aminomethyl)-4-methylpiperidin-1-yl]-2-methylpentan-1-one
CID 107159961
(3S)-1-[(2R)-2-methylpentanoyl]piperidine-3-carboxylic acid
CID 28734803
(2S)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-methylpentan-1-one
CID 26832725
2-[4-(2-methylpentanoyl)piperazin-1-yl]acetic acid
CID 43521431
1-(2-methylpentanoyl)piperidine-4-carboxylic acid
CID 43209769
(2R)-2-[(3,3-dimethylpiperidine-1-carbonyl)amino]pentanoic acid
CID 107567056
2-amino-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)pentan-1-one
CID 86784353
1-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-2-methylpentan-1-one
CID 43251391

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-3-(hydroxymethyl)piperidin-1-yl]-2-methylpentan-1-one?
The IUPAC name of 1-[3-amino-3-(hydroxymethyl)piperidin-1-yl]-2-methylpentan-1-one (CID 165447253) is 1-[3-amino-3-(hydroxymethyl)piperidin-1-yl]-2-methylpentan-1-one.
What is the SMILES notation for 1-[3-amino-3-(hydroxymethyl)piperidin-1-yl]-2-methylpentan-1-one?
The canonical SMILES for 1-[3-amino-3-(hydroxymethyl)piperidin-1-yl]-2-methylpentan-1-one is CCCC(C)C(=O)N1CCCC(N)(CO)C1.
What is the InChIKey of 1-[3-amino-3-(hydroxymethyl)piperidin-1-yl]-2-methylpentan-1-one?
The InChIKey is KPDRJYYICXFPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-5-10(2)11(16)14-7-4-6-12(13,8-14)9-15/h10,15H,3-9,13H2,1-2H3.
What are the key properties of 1-[3-amino-3-(hydroxymethyl)piperidin-1-yl]-2-methylpentan-1-one?
1-[3-amino-3-(hydroxymethyl)piperidin-1-yl]-2-methylpentan-1-one has a molecular weight of 228.34 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-3-(hydroxymethyl)piperidin-1-yl]-2-methylpentan-1-one is sourced from PubChem (CID 165447253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).