4-methyl-1-[4-(methylamino)piperidin-1-yl]pentan-1-one;hydrochloride

C12H25ClN2O — CID 119562078

IUPAC4-methyl-1-[4-(methylamino)piperidin-1-yl]pentan-1-one;hydrochloride
SMILESCNC1CCN(C(=O)CCC(C)C)CC1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-10(2)4-5-12(15)14-8-6-11(13-3)7-9-14;/h10-11,13H,4-9H2,1-3H3;1H
InChIKeyQMBGVEWAMUSANX-UHFFFAOYSA-N
MW248.80 g/mol
LogP2.05
Rot. Bonds4

About 4-methyl-1-[4-(methylamino)piperidin-1-yl]pentan-1-one;hydrochloride

4-methyl-1-[4-(methylamino)piperidin-1-yl]pentan-1-one;hydrochloride (PubChem CID 119562078) has the molecular formula C12H25ClN2O and a molecular weight of 248.80 g/mol. Its IUPAC name is 4-methyl-1-[4-(methylamino)piperidin-1-yl]pentan-1-one;hydrochloride.

Molecular Properties

Compound Name4-methyl-1-[4-(methylamino)piperidin-1-yl]pentan-1-one;hydrochloride
PubChem CID119562078
Molecular FormulaC12H25ClN2O
Molecular Weight248.80 g/mol
Exact Mass248.17
IUPAC Name4-methyl-1-[4-(methylamino)piperidin-1-yl]pentan-1-one;hydrochloride
SMILESCNC1CCN(C(=O)CCC(C)C)CC1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-10(2)4-5-12(15)14-8-6-11(13-3)7-9-14;/h10-11,13H,4-9H2,1-3H3;1H
InChIKeyQMBGVEWAMUSANX-UHFFFAOYSA-N
XLogP2.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.80
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(ethylaminomethyl)piperidin-1-yl]-4-methylpentan-1-one;hydrochloride
CID 119646474
3-hydroxy-1-[4-(methylamino)piperidin-1-yl]butan-1-one
CID 54408346
1-[4-(methylamino)piperidin-1-yl]hexan-1-one
CID 60818219
5,5-dimethyl-1-[4-(methylamino)piperidin-1-yl]hexan-1-one
CID 119564039
N'-hydroxy-1-(4-methylpentanoyl)piperidine-4-carboximidamide
CID 77039261
4-methyl-1-piperazin-1-ylpentan-1-one
CID 20596588
1-[(3S)-3-(methylamino)pyrrolidin-1-yl]butan-1-one
CID 172646211
1-[4-[(5-amino-2-pyridinyl)amino]piperidin-1-yl]-4-methylpentan-1-one
CID 68719868
1-[4-(2-chloroethoxy)piperidin-1-yl]-4-methylpentan-1-one
CID 82700911
4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one
CID 58450079
ethane;4-methyl-1-piperazin-1-ylpentan-1-one
CID 143763421
2-cyclobutyl-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119560451

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[4-(methylamino)piperidin-1-yl]pentan-1-one;hydrochloride?
The IUPAC name of 4-methyl-1-[4-(methylamino)piperidin-1-yl]pentan-1-one;hydrochloride (CID 119562078) is 4-methyl-1-[4-(methylamino)piperidin-1-yl]pentan-1-one;hydrochloride.
What is the SMILES notation for 4-methyl-1-[4-(methylamino)piperidin-1-yl]pentan-1-one;hydrochloride?
The canonical SMILES for 4-methyl-1-[4-(methylamino)piperidin-1-yl]pentan-1-one;hydrochloride is CNC1CCN(C(=O)CCC(C)C)CC1.Cl.
What is the InChIKey of 4-methyl-1-[4-(methylamino)piperidin-1-yl]pentan-1-one;hydrochloride?
The InChIKey is QMBGVEWAMUSANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.ClH/c1-10(2)4-5-12(15)14-8-6-11(13-3)7-9-14;/h10-11,13H,4-9H2,1-3H3;1H.
What are the key properties of 4-methyl-1-[4-(methylamino)piperidin-1-yl]pentan-1-one;hydrochloride?
4-methyl-1-[4-(methylamino)piperidin-1-yl]pentan-1-one;hydrochloride has a molecular weight of 248.80 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[4-(methylamino)piperidin-1-yl]pentan-1-one;hydrochloride is sourced from PubChem (CID 119562078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).