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

C15H28N2O2 — CID 81043659

IUPAC1-[2-(hydroxymethyl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one
SMILESCC(CC(=O)N1CCCCC1CO)C1CCCNC1
InChIInChI=1S/C15H28N2O2/c1-12(13-5-4-7-16-10-13)9-15(19)17-8-3-2-6-14(17)11-18/h12-14,16,18H,2-11H2,1H3
InChIKeyHDYMXONSZYEWRW-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.39
Rot. Bonds4

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

1-[2-(hydroxymethyl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one (PubChem CID 81043659) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one
PubChem CID81043659
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-[2-(hydroxymethyl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one
SMILESCC(CC(=O)N1CCCCC1CO)C1CCCNC1
InChIInChI=1S/C15H28N2O2/c1-12(13-5-4-7-16-10-13)9-15(19)17-8-3-2-6-14(17)11-18/h12-14,16,18H,2-11H2,1H3
InChIKeyHDYMXONSZYEWRW-UHFFFAOYSA-N
XLogP1.39
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3-piperidin-3-ylbutanoyl)pyrrolidin-2-yl]acetic acid
CID 81043675
1-(2-methylazepan-1-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119785155
3-amino-N-[[1-(3-piperidin-3-ylbutanoyl)piperidin-2-yl]methyl]propanamide
CID 122081320
N,N-dimethyl-1-(3-piperidin-3-ylbutanoyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119697659
1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 119897765
1-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119758347
3-piperidin-3-yl-1-thiomorpholin-4-ylbutan-1-one
CID 81043728
1-(4-cyclopentyloxypiperidin-1-yl)-3-piperidin-3-ylbutan-1-one
CID 119765244
4-methyl-1-(3-piperidin-3-ylbutanoyl)piperidine-2-carboxylic acid
CID 115867435
1-(2,6-dimethylpiperidin-1-yl)-3-piperidin-3-ylbutan-1-one
CID 81044719
3-piperidin-3-yl-1-thiomorpholin-4-ylbutan-1-one;hydrochloride
CID 119705171
1-[4-(2-methylpropanoyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119686669

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one?
The IUPAC name of 1-[2-(hydroxymethyl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one (CID 81043659) is 1-[2-(hydroxymethyl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one.
What is the SMILES notation for 1-[2-(hydroxymethyl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one?
The canonical SMILES for 1-[2-(hydroxymethyl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one is CC(CC(=O)N1CCCCC1CO)C1CCCNC1.
What is the InChIKey of 1-[2-(hydroxymethyl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one?
The InChIKey is HDYMXONSZYEWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-12(13-5-4-7-16-10-13)9-15(19)17-8-3-2-6-14(17)11-18/h12-14,16,18H,2-11H2,1H3.
What are the key properties of 1-[2-(hydroxymethyl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one?
1-[2-(hydroxymethyl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one has a molecular weight of 268.40 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one is sourced from PubChem (CID 81043659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).