(4,4-dimethylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride

C13H25ClN2O — CID 119316184

IUPAC(4,4-dimethylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
SMILESCC1(C)CCN(C(=O)C2CCCCN2)CC1.Cl
InChIInChI=1S/C13H24N2O.ClH/c1-13(2)6-9-15(10-7-13)12(16)11-5-3-4-8-14-11;/h11,14H,3-10H2,1-2H3;1H
InChIKeyZKLWUIPPLUACRH-UHFFFAOYSA-N
MW260.81 g/mol
LogP2.20
Rot. Bonds1

About (4,4-dimethylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride

(4,4-dimethylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride (PubChem CID 119316184) has the molecular formula C13H25ClN2O and a molecular weight of 260.81 g/mol. Its IUPAC name is (4,4-dimethylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride.

Molecular Properties

Compound Name(4,4-dimethylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
PubChem CID119316184
Molecular FormulaC13H25ClN2O
Molecular Weight260.81 g/mol
Exact Mass260.17
IUPAC Name(4,4-dimethylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
SMILESCC1(C)CCN(C(=O)C2CCCCN2)CC1.Cl
InChIInChI=1S/C13H24N2O.ClH/c1-13(2)6-9-15(10-7-13)12(16)11-5-3-4-8-14-11;/h11,14H,3-10H2,1-2H3;1H
InChIKeyZKLWUIPPLUACRH-UHFFFAOYSA-N
XLogP2.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.81
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4,4-dimethylpiperidin-1-yl)-[(2R)-piperidin-2-yl]methanone
CID 94899369
azepan-2-yl-(4,4-dimethylpiperidin-1-yl)methanone
CID 64571164
(4,4-dimethylazepan-1-yl)-[(2R)-piperidin-2-yl]methanone
CID 103812421
(4,4-dimethylazepan-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103797741
(4,4-difluoropiperidin-1-yl)-piperidin-2-ylmethanone
CID 116991084
(3-hydroxy-3-methylpyrrolidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 103356057
azepan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119669545
azocan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119676414
(4-methylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
CID 2794697
azepan-1-yl(azepan-2-yl)methanone
CID 64562203
azepan-1-yl-[(2R)-piperidin-2-yl]methanone
CID 7183049
4-ethyl-1-[(2R)-piperidine-2-carbonyl]piperidine-4-carboxylic acid
CID 104913902

Frequently Asked Questions

What is the IUPAC name of (4,4-dimethylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride?
The IUPAC name of (4,4-dimethylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride (CID 119316184) is (4,4-dimethylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride.
What is the SMILES notation for (4,4-dimethylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride?
The canonical SMILES for (4,4-dimethylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride is CC1(C)CCN(C(=O)C2CCCCN2)CC1.Cl.
What is the InChIKey of (4,4-dimethylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride?
The InChIKey is ZKLWUIPPLUACRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O.ClH/c1-13(2)6-9-15(10-7-13)12(16)11-5-3-4-8-14-11;/h11,14H,3-10H2,1-2H3;1H.
What are the key properties of (4,4-dimethylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride?
(4,4-dimethylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride has a molecular weight of 260.81 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride is sourced from PubChem (CID 119316184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).