1-[(2S,6R)-1-(2,2-dimethylpropyl)-2,6-dimethylpiperidin-4-yl]-4-propan-2-ylpiperazine

C19H39N3 — CID 166864352

IUPAC1-[(2S,6R)-1-(2,2-dimethylpropyl)-2,6-dimethylpiperidin-4-yl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C2C[C@@H](C)N(CC(C)(C)C)[C@@H](C)C2)CC1
InChIInChI=1S/C19H39N3/c1-15(2)20-8-10-21(11-9-20)18-12-16(3)22(17(4)13-18)14-19(5,6)7/h15-18H,8-14H2,1-7H3/t16-,17+,18?
InChIKeyVURPPVWATNDDMK-JWTNVVGKSA-N
MW309.54 g/mol
LogP3.30
Rot. Bonds3

About 1-[(2S,6R)-1-(2,2-dimethylpropyl)-2,6-dimethylpiperidin-4-yl]-4-propan-2-ylpiperazine

1-[(2S,6R)-1-(2,2-dimethylpropyl)-2,6-dimethylpiperidin-4-yl]-4-propan-2-ylpiperazine (PubChem CID 166864352) has the molecular formula C19H39N3 and a molecular weight of 309.54 g/mol. Its IUPAC name is 1-[(2S,6R)-1-(2,2-dimethylpropyl)-2,6-dimethylpiperidin-4-yl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[(2S,6R)-1-(2,2-dimethylpropyl)-2,6-dimethylpiperidin-4-yl]-4-propan-2-ylpiperazine
PubChem CID166864352
Molecular FormulaC19H39N3
Molecular Weight309.54 g/mol
Exact Mass309.31
IUPAC Name1-[(2S,6R)-1-(2,2-dimethylpropyl)-2,6-dimethylpiperidin-4-yl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C2C[C@@H](C)N(CC(C)(C)C)[C@@H](C)C2)CC1
InChIInChI=1S/C19H39N3/c1-15(2)20-8-10-21(11-9-20)18-12-16(3)22(17(4)13-18)14-19(5,6)7/h15-18H,8-14H2,1-7H3/t16-,17+,18?
InChIKeyVURPPVWATNDDMK-JWTNVVGKSA-N
XLogP3.30
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.54
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(2S,6R)-1-(2,2-dimethylpropyl)-2,6-dimethylpiperidin-4-yl]-4-propan-2-ylpiperazine with MolForge

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Related Compounds

1-[1-(2,2-dimethylpropyl)azetidin-3-yl]-4-propan-2-ylpiperazine
CID 146180125
1-cyclopropyl-4-propan-2-ylpiperazine
CID 59855791
1-cyclopropyl-4-propan-2-ylpiperazine;ethane
CID 169164545
(7R,8aS)-7-methyl-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 118230703
1-propan-2-yl-4-(3-propan-2-yloxycyclobutyl)piperazine
CID 169289968
1-tert-butyl-4-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]piperazine
CID 134413729
1-[1-(2,2-difluoro-3-methylbutyl)piperidin-4-yl]-4-propan-2-ylpiperazine
CID 170586111
2-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]ethanol
CID 156683774
1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine
CID 58904691
1-methyl-4-[1-[2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]piperidin-4-yl]piperazine
CID 129212775
1-methyl-4-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclobutyl]piperazine
CID 176935979
6-[(2R,6R)-1-ethyl-2,6-dimethylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane
CID 166168989

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,6R)-1-(2,2-dimethylpropyl)-2,6-dimethylpiperidin-4-yl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[(2S,6R)-1-(2,2-dimethylpropyl)-2,6-dimethylpiperidin-4-yl]-4-propan-2-ylpiperazine (CID 166864352) is 1-[(2S,6R)-1-(2,2-dimethylpropyl)-2,6-dimethylpiperidin-4-yl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[(2S,6R)-1-(2,2-dimethylpropyl)-2,6-dimethylpiperidin-4-yl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[(2S,6R)-1-(2,2-dimethylpropyl)-2,6-dimethylpiperidin-4-yl]-4-propan-2-ylpiperazine is CC(C)N1CCN(C2C[C@@H](C)N(CC(C)(C)C)[C@@H](C)C2)CC1.
What is the InChIKey of 1-[(2S,6R)-1-(2,2-dimethylpropyl)-2,6-dimethylpiperidin-4-yl]-4-propan-2-ylpiperazine?
The InChIKey is VURPPVWATNDDMK-JWTNVVGKSA-N. The full InChI is InChI=1S/C19H39N3/c1-15(2)20-8-10-21(11-9-20)18-12-16(3)22(17(4)13-18)14-19(5,6)7/h15-18H,8-14H2,1-7H3/t16-,17+,18?.
What are the key properties of 1-[(2S,6R)-1-(2,2-dimethylpropyl)-2,6-dimethylpiperidin-4-yl]-4-propan-2-ylpiperazine?
1-[(2S,6R)-1-(2,2-dimethylpropyl)-2,6-dimethylpiperidin-4-yl]-4-propan-2-ylpiperazine has a molecular weight of 309.54 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,6R)-1-(2,2-dimethylpropyl)-2,6-dimethylpiperidin-4-yl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 166864352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).