2,6-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine

C16H33N3 — CID 170616894

IUPAC2,6-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CC(C)N(CC2CCN(C)CC2)C(C)C1
InChIInChI=1S/C16H33N3/c1-13(2)18-10-14(3)19(15(4)11-18)12-16-6-8-17(5)9-7-16/h13-16H,6-12H2,1-5H3
InChIKeyUUXDZEALWBSNHI-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.13
Rot. Bonds3

About 2,6-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine

2,6-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine (PubChem CID 170616894) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 2,6-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name2,6-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine
PubChem CID170616894
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name2,6-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CC(C)N(CC2CCN(C)CC2)C(C)C1
InChIInChI=1S/C16H33N3/c1-13(2)18-10-14(3)19(15(4)11-18)12-16-6-8-17(5)9-7-16/h13-16H,6-12H2,1-5H3
InChIKeyUUXDZEALWBSNHI-UHFFFAOYSA-N
XLogP2.13
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,6-trimethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 170616944
8-[(1-ethylpiperidin-4-yl)methyl]-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
CID 166461736
1,2,6-trimethyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 155218428
2,5-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine;ethane
CID 170629635
(5R)-2,5-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine;ethane
CID 170629504
5-propan-2-yl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 164782571
(2S,6R)-1-(4-cyclohexylbutyl)-2,6-dimethyl-4-propan-2-ylpiperazine
CID 170569544
2,6-dimethyl-1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 167417683
1-methyl-4-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]piperazine
CID 170617047
(2S)-1-(4-cyclohexylbutyl)-2,6-dimethyl-4-propan-2-ylpiperazine;2-methylpropane
CID 170569249
3-methyl-8-[(1-propan-2-ylpiperidin-4-yl)methyl]-8-azabicyclo[3.2.1]octane
CID 176984317
6-methyl-3-[(1-methylpiperidin-4-yl)methyl]-3-azabicyclo[3.1.1]heptane
CID 176984978

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine?
The IUPAC name of 2,6-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine (CID 170616894) is 2,6-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 2,6-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine?
The canonical SMILES for 2,6-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine is CC(C)N1CC(C)N(CC2CCN(C)CC2)C(C)C1.
What is the InChIKey of 2,6-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine?
The InChIKey is UUXDZEALWBSNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-13(2)18-10-14(3)19(15(4)11-18)12-16-6-8-17(5)9-7-16/h13-16H,6-12H2,1-5H3.
What are the key properties of 2,6-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine?
2,6-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine has a molecular weight of 267.46 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 170616894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).