1-(2,4,4,6,6-pentamethylheptan-2-yl)-4-propan-2-ylpiperazine

C19H40N2 — CID 167181196

IUPAC1-(2,4,4,6,6-pentamethylheptan-2-yl)-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C(C)(C)CC(C)(C)CC(C)(C)C)CC1
InChIInChI=1S/C19H40N2/c1-16(2)20-10-12-21(13-11-20)19(8,9)15-18(6,7)14-17(3,4)5/h16H,10-15H2,1-9H3
InChIKeyBPJNGVVOJWASFZ-UHFFFAOYSA-N
MW296.54 g/mol
LogP4.64
Rot. Bonds5

About 1-(2,4,4,6,6-pentamethylheptan-2-yl)-4-propan-2-ylpiperazine

1-(2,4,4,6,6-pentamethylheptan-2-yl)-4-propan-2-ylpiperazine (PubChem CID 167181196) has the molecular formula C19H40N2 and a molecular weight of 296.54 g/mol. Its IUPAC name is 1-(2,4,4,6,6-pentamethylheptan-2-yl)-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(2,4,4,6,6-pentamethylheptan-2-yl)-4-propan-2-ylpiperazine
PubChem CID167181196
Molecular FormulaC19H40N2
Molecular Weight296.54 g/mol
Exact Mass296.32
IUPAC Name1-(2,4,4,6,6-pentamethylheptan-2-yl)-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C(C)(C)CC(C)(C)CC(C)(C)C)CC1
InChIInChI=1S/C19H40N2/c1-16(2)20-10-12-21(13-11-20)19(8,9)15-18(6,7)14-17(3,4)5/h16H,10-15H2,1-9H3
InChIKeyBPJNGVVOJWASFZ-UHFFFAOYSA-N
XLogP4.64
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.54
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4,4,6,6-pentamethylheptan-2-yl)-4-propan-2-ylpiperazine?
The IUPAC name of 1-(2,4,4,6,6-pentamethylheptan-2-yl)-4-propan-2-ylpiperazine (CID 167181196) is 1-(2,4,4,6,6-pentamethylheptan-2-yl)-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-(2,4,4,6,6-pentamethylheptan-2-yl)-4-propan-2-ylpiperazine?
The canonical SMILES for 1-(2,4,4,6,6-pentamethylheptan-2-yl)-4-propan-2-ylpiperazine is CC(C)N1CCN(C(C)(C)CC(C)(C)CC(C)(C)C)CC1.
What is the InChIKey of 1-(2,4,4,6,6-pentamethylheptan-2-yl)-4-propan-2-ylpiperazine?
The InChIKey is BPJNGVVOJWASFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2/c1-16(2)20-10-12-21(13-11-20)19(8,9)15-18(6,7)14-17(3,4)5/h16H,10-15H2,1-9H3.
What are the key properties of 1-(2,4,4,6,6-pentamethylheptan-2-yl)-4-propan-2-ylpiperazine?
1-(2,4,4,6,6-pentamethylheptan-2-yl)-4-propan-2-ylpiperazine has a molecular weight of 296.54 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,4,6,6-pentamethylheptan-2-yl)-4-propan-2-ylpiperazine is sourced from PubChem (CID 167181196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).