5-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-4-methylpentan-1-one

C12H24N2O2 — CID 82684034

IUPAC5-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-4-methylpentan-1-one
SMILESCC(CN)CCC(=O)N1CCC(CO)CC1
InChIInChI=1S/C12H24N2O2/c1-10(8-13)2-3-12(16)14-6-4-11(9-15)5-7-14/h10-11,15H,2-9,13H2,1H3
InChIKeyTZLOINVNOYWIQS-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.59
Rot. Bonds5

About 5-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-4-methylpentan-1-one

5-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-4-methylpentan-1-one (PubChem CID 82684034) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 5-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-4-methylpentan-1-one.

Molecular Properties

Compound Name5-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-4-methylpentan-1-one
PubChem CID82684034
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name5-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-4-methylpentan-1-one
SMILESCC(CN)CCC(=O)N1CCC(CO)CC1
InChIInChI=1S/C12H24N2O2/c1-10(8-13)2-3-12(16)14-6-4-11(9-15)5-7-14/h10-11,15H,2-9,13H2,1H3
InChIKeyTZLOINVNOYWIQS-UHFFFAOYSA-N
XLogP0.59
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-1-(4-methoxypiperidin-1-yl)-4-methylpentan-1-one
CID 82017222
1-(5-amino-4-methylpentanoyl)piperidine-4-carboxamide
CID 82683543
5-amino-1-(3-hydroxypyrrolidin-1-yl)-4-methylpentan-1-one
CID 82011405
5-amino-4-methyl-1-(4-methylazepan-1-yl)pentan-1-one
CID 82689210
N-[1-(5-amino-4-methylpentanoyl)piperidin-4-yl]-2-methylpropanamide
CID 82011596
5-amino-1-(4-ethoxypiperidin-1-yl)-4-methylpentan-1-one
CID 82010948
1-(5-amino-4-methylpentanoyl)pyrrolidine-3-carboxylic acid
CID 82012551
5-amino-4-methyl-1-[4-(3-methylbutanoyl)piperazin-1-yl]pentan-1-one
CID 82011875
5-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpentan-1-one
CID 82683408
5-amino-1-[(3S)-3-hydroxypiperidin-1-yl]-4-methylpentan-1-one
CID 107222947
6-amino-1-[4-(hydroxymethyl)piperidin-1-yl]hexan-1-one
CID 43133252
methyl N-[1-(5-amino-4-methylpentanoyl)pyrrolidin-3-yl]carbamate
CID 113402198

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-4-methylpentan-1-one?
The IUPAC name of 5-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-4-methylpentan-1-one (CID 82684034) is 5-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-4-methylpentan-1-one.
What is the SMILES notation for 5-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-4-methylpentan-1-one?
The canonical SMILES for 5-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-4-methylpentan-1-one is CC(CN)CCC(=O)N1CCC(CO)CC1.
What is the InChIKey of 5-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-4-methylpentan-1-one?
The InChIKey is TZLOINVNOYWIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10(8-13)2-3-12(16)14-6-4-11(9-15)5-7-14/h10-11,15H,2-9,13H2,1H3.
What are the key properties of 5-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-4-methylpentan-1-one?
5-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-4-methylpentan-1-one has a molecular weight of 228.34 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-4-methylpentan-1-one is sourced from PubChem (CID 82684034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).