3-(aminomethyl)-1-[4-(dimethylamino)piperidin-1-yl]pentan-1-one

C13H27N3O — CID 81071625

IUPAC3-(aminomethyl)-1-[4-(dimethylamino)piperidin-1-yl]pentan-1-one
SMILESCCC(CN)CC(=O)N1CCC(N(C)C)CC1
InChIInChI=1S/C13H27N3O/c1-4-11(10-14)9-13(17)16-7-5-12(6-8-16)15(2)3/h11-12H,4-10,14H2,1-3H3
InChIKeyMPIBYKFYJIJYSR-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.91
Rot. Bonds5

About 3-(aminomethyl)-1-[4-(dimethylamino)piperidin-1-yl]pentan-1-one

3-(aminomethyl)-1-[4-(dimethylamino)piperidin-1-yl]pentan-1-one (PubChem CID 81071625) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 3-(aminomethyl)-1-[4-(dimethylamino)piperidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-[4-(dimethylamino)piperidin-1-yl]pentan-1-one
PubChem CID81071625
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name3-(aminomethyl)-1-[4-(dimethylamino)piperidin-1-yl]pentan-1-one
SMILESCCC(CN)CC(=O)N1CCC(N(C)C)CC1
InChIInChI=1S/C13H27N3O/c1-4-11(10-14)9-13(17)16-7-5-12(6-8-16)15(2)3/h11-12H,4-10,14H2,1-3H3
InChIKeyMPIBYKFYJIJYSR-UHFFFAOYSA-N
XLogP0.91
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-1-(4-methoxypiperidin-1-yl)pentan-1-one
CID 81071725
3-(aminomethyl)-1-pyrrolidin-1-ylpentan-1-one
CID 81070854
1-[3-(aminomethyl)pentanoyl]-N-ethylpiperidine-4-carboxamide
CID 81087190
3-(aminomethyl)-1-(4-tert-butylpiperazin-1-yl)pentan-1-one
CID 81087242
3-(aminomethyl)-1-(3-hydroxypiperidin-1-yl)pentan-1-one
CID 81071735
1-[4-(dimethylamino)piperidin-1-yl]-2-[[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-methylamino]ethanone
CID 144771309
3-(aminomethyl)-1-(4-methylsulfonylpiperazin-1-yl)pentan-1-one
CID 81075469
3-(aminomethyl)-1-(3,6-dihydro-2H-pyridin-1-yl)pentan-1-one
CID 114409154
1-[4-(1-aminoethyl)piperidin-1-yl]-3-ethylpentan-1-one;hydrochloride
CID 119518372
3-(aminomethyl)-1-[4-(3-methylbutyl)piperazin-1-yl]pentan-1-one
CID 81087569
1-[3-(aminomethyl)pentanoyl]-4-ethylpiperidine-4-carboxylic acid
CID 81079245
3-(aminomethyl)-1-(3-pyrrolidin-1-ylpiperidin-1-yl)pentan-1-one
CID 81087100

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-[4-(dimethylamino)piperidin-1-yl]pentan-1-one?
The IUPAC name of 3-(aminomethyl)-1-[4-(dimethylamino)piperidin-1-yl]pentan-1-one (CID 81071625) is 3-(aminomethyl)-1-[4-(dimethylamino)piperidin-1-yl]pentan-1-one.
What is the SMILES notation for 3-(aminomethyl)-1-[4-(dimethylamino)piperidin-1-yl]pentan-1-one?
The canonical SMILES for 3-(aminomethyl)-1-[4-(dimethylamino)piperidin-1-yl]pentan-1-one is CCC(CN)CC(=O)N1CCC(N(C)C)CC1.
What is the InChIKey of 3-(aminomethyl)-1-[4-(dimethylamino)piperidin-1-yl]pentan-1-one?
The InChIKey is MPIBYKFYJIJYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-4-11(10-14)9-13(17)16-7-5-12(6-8-16)15(2)3/h11-12H,4-10,14H2,1-3H3.
What are the key properties of 3-(aminomethyl)-1-[4-(dimethylamino)piperidin-1-yl]pentan-1-one?
3-(aminomethyl)-1-[4-(dimethylamino)piperidin-1-yl]pentan-1-one has a molecular weight of 241.38 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-[4-(dimethylamino)piperidin-1-yl]pentan-1-one is sourced from PubChem (CID 81071625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).