(2R,6R)-2,6-dimethyl-1-[5-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]hexan-2-yl]-4-propan-2-ylpiperazine

C23H48N4 — CID 166707730

IUPAC(2R,6R)-2,6-dimethyl-1-[5-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]hexan-2-yl]-4-propan-2-ylpiperazine
SMILESCC(C)N1C[C@@H](C)N(C(C)CCC(C)N2CCN(C(C)C)[C@H](C)C2)[C@H](C)C1
InChIInChI=1S/C23H48N4/c1-17(2)25-15-22(8)27(23(9)16-25)20(6)11-10-19(5)24-12-13-26(18(3)4)21(7)14-24/h17-23H,10-16H2,1-9H3/t19?,20?,21-,22-,23-/m1/s1
InChIKeyMKWXYWQIXPFUOA-FDTLVRFQSA-N
MW380.67 g/mol
LogP3.76
Rot. Bonds7

About (2R,6R)-2,6-dimethyl-1-[5-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]hexan-2-yl]-4-propan-2-ylpiperazine

(2R,6R)-2,6-dimethyl-1-[5-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]hexan-2-yl]-4-propan-2-ylpiperazine (PubChem CID 166707730) has the molecular formula C23H48N4 and a molecular weight of 380.67 g/mol. Its IUPAC name is (2R,6R)-2,6-dimethyl-1-[5-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]hexan-2-yl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name(2R,6R)-2,6-dimethyl-1-[5-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]hexan-2-yl]-4-propan-2-ylpiperazine
PubChem CID166707730
Molecular FormulaC23H48N4
Molecular Weight380.67 g/mol
Exact Mass380.39
IUPAC Name(2R,6R)-2,6-dimethyl-1-[5-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]hexan-2-yl]-4-propan-2-ylpiperazine
SMILESCC(C)N1C[C@@H](C)N(C(C)CCC(C)N2CCN(C(C)C)[C@H](C)C2)[C@H](C)C1
InChIInChI=1S/C23H48N4/c1-17(2)25-15-22(8)27(23(9)16-25)20(6)11-10-19(5)24-12-13-26(18(3)4)21(7)14-24/h17-23H,10-16H2,1-9H3/t19?,20?,21-,22-,23-/m1/s1
InChIKeyMKWXYWQIXPFUOA-FDTLVRFQSA-N
XLogP3.76
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.67
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2,6-dimethyl-1-[5-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]hexan-2-yl]-4-propan-2-ylpiperazine?
The IUPAC name of (2R,6R)-2,6-dimethyl-1-[5-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]hexan-2-yl]-4-propan-2-ylpiperazine (CID 166707730) is (2R,6R)-2,6-dimethyl-1-[5-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]hexan-2-yl]-4-propan-2-ylpiperazine.
What is the SMILES notation for (2R,6R)-2,6-dimethyl-1-[5-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]hexan-2-yl]-4-propan-2-ylpiperazine?
The canonical SMILES for (2R,6R)-2,6-dimethyl-1-[5-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]hexan-2-yl]-4-propan-2-ylpiperazine is CC(C)N1C[C@@H](C)N(C(C)CCC(C)N2CCN(C(C)C)[C@H](C)C2)[C@H](C)C1.
What is the InChIKey of (2R,6R)-2,6-dimethyl-1-[5-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]hexan-2-yl]-4-propan-2-ylpiperazine?
The InChIKey is MKWXYWQIXPFUOA-FDTLVRFQSA-N. The full InChI is InChI=1S/C23H48N4/c1-17(2)25-15-22(8)27(23(9)16-25)20(6)11-10-19(5)24-12-13-26(18(3)4)21(7)14-24/h17-23H,10-16H2,1-9H3/t19?,20?,21-,22-,23-/m1/s1.
What are the key properties of (2R,6R)-2,6-dimethyl-1-[5-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]hexan-2-yl]-4-propan-2-ylpiperazine?
(2R,6R)-2,6-dimethyl-1-[5-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]hexan-2-yl]-4-propan-2-ylpiperazine has a molecular weight of 380.67 g/mol, XLogP of 3.76, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-2,6-dimethyl-1-[5-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]hexan-2-yl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 166707730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).