2,6-dimethyl-1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine

C18H37N3 — CID 167417683

IUPAC2,6-dimethyl-1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
SMILESCC(C)N1CCC(CN2CC(C)N(C(C)C)C(C)C2)CC1
InChIInChI=1S/C18H37N3/c1-14(2)20-9-7-18(8-10-20)13-19-11-16(5)21(15(3)4)17(6)12-19/h14-18H,7-13H2,1-6H3
InChIKeyHWDKUYLLLCIJSF-UHFFFAOYSA-N
MW295.51 g/mol
LogP2.91
Rot. Bonds4

About 2,6-dimethyl-1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine

2,6-dimethyl-1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine (PubChem CID 167417683) has the molecular formula C18H37N3 and a molecular weight of 295.51 g/mol. Its IUPAC name is 2,6-dimethyl-1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine.

Molecular Properties

Compound Name2,6-dimethyl-1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
PubChem CID167417683
Molecular FormulaC18H37N3
Molecular Weight295.51 g/mol
Exact Mass295.30
IUPAC Name2,6-dimethyl-1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
SMILESCC(C)N1CCC(CN2CC(C)N(C(C)C)C(C)C2)CC1
InChIInChI=1S/C18H37N3/c1-14(2)20-9-7-18(8-10-20)13-19-11-16(5)21(15(3)4)17(6)12-19/h14-18H,7-13H2,1-6H3
InChIKeyHWDKUYLLLCIJSF-UHFFFAOYSA-N
XLogP2.91
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
1-[4-[[(3S,5R)-3,5-dimethyl-4-propan-2-ylpiperazin-1-yl]methyl]piperidin-1-yl]butan-2-one;ethane
CID 176576859
ethane;N-methyl-N,1-bis[(1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-amine
CID 155702576
2,4,6-trimethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 170616944
(3aR,6aS)-5-tert-butyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 155702594
3-propan-2-yl-6-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane;8-propan-2-yl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,8-diazabicyclo[3.2.1]octane
CID 171564586
1,2,6-trimethyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 155218428
5-(3-methylbutyl)-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-azabicyclo[4.1.0]heptane
CID 174286180
1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
CID 167695333
3-propan-2-yl-9-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane
CID 155184308
3-fluoro-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine
CID 176562259
1-tert-butyl-4-[1-[(1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-yl]piperazine
CID 172511550

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine?
The IUPAC name of 2,6-dimethyl-1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine (CID 167417683) is 2,6-dimethyl-1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine.
What is the SMILES notation for 2,6-dimethyl-1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine?
The canonical SMILES for 2,6-dimethyl-1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine is CC(C)N1CCC(CN2CC(C)N(C(C)C)C(C)C2)CC1.
What is the InChIKey of 2,6-dimethyl-1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine?
The InChIKey is HWDKUYLLLCIJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-14(2)20-9-7-18(8-10-20)13-19-11-16(5)21(15(3)4)17(6)12-19/h14-18H,7-13H2,1-6H3.
What are the key properties of 2,6-dimethyl-1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine?
2,6-dimethyl-1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine has a molecular weight of 295.51 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine is sourced from PubChem (CID 167417683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).