(2R)-N-benzyl-3-methyl-2-[(3R)-4-(3-methylbutyl)-3-propan-2-ylpiperazin-1-yl]butan-1-amine

C24H43N3 — CID 45482239

IUPAC(2R)-N-benzyl-3-methyl-2-[(3R)-4-(3-methylbutyl)-3-propan-2-ylpiperazin-1-yl]butan-1-amine
SMILESCC(C)CCN1CCN([C@@H](CNCc2ccccc2)C(C)C)C[C@H]1C(C)C
InChIInChI=1S/C24H43N3/c1-19(2)12-13-26-14-15-27(18-24(26)21(5)6)23(20(3)4)17-25-16-22-10-8-7-9-11-22/h7-11,19-21,23-25H,12-18H2,1-6H3/t23-,24-/m0/s1
InChIKeyHBWOTJZPLCDEDR-ZEQRLZLVSA-N
MW373.63 g/mol
LogP4.49
Rot. Bonds10

About (2R)-N-benzyl-3-methyl-2-[(3R)-4-(3-methylbutyl)-3-propan-2-ylpiperazin-1-yl]butan-1-amine

(2R)-N-benzyl-3-methyl-2-[(3R)-4-(3-methylbutyl)-3-propan-2-ylpiperazin-1-yl]butan-1-amine (PubChem CID 45482239) has the molecular formula C24H43N3 and a molecular weight of 373.63 g/mol. Its IUPAC name is (2R)-N-benzyl-3-methyl-2-[(3R)-4-(3-methylbutyl)-3-propan-2-ylpiperazin-1-yl]butan-1-amine.

Molecular Properties

Compound Name(2R)-N-benzyl-3-methyl-2-[(3R)-4-(3-methylbutyl)-3-propan-2-ylpiperazin-1-yl]butan-1-amine
PubChem CID45482239
Molecular FormulaC24H43N3
Molecular Weight373.63 g/mol
Exact Mass373.35
IUPAC Name(2R)-N-benzyl-3-methyl-2-[(3R)-4-(3-methylbutyl)-3-propan-2-ylpiperazin-1-yl]butan-1-amine
SMILESCC(C)CCN1CCN([C@@H](CNCc2ccccc2)C(C)C)C[C@H]1C(C)C
InChIInChI=1S/C24H43N3/c1-19(2)12-13-26-14-15-27(18-24(26)21(5)6)23(20(3)4)17-25-16-22-10-8-7-9-11-22/h7-11,19-21,23-25H,12-18H2,1-6H3/t23-,24-/m0/s1
InChIKeyHBWOTJZPLCDEDR-ZEQRLZLVSA-N
XLogP4.49
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.63
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-3-methyl-2-[(3R)-4-(3-methylbutyl)-3-propan-2-ylpiperazin-1-yl]butan-1-amine?
The IUPAC name of (2R)-N-benzyl-3-methyl-2-[(3R)-4-(3-methylbutyl)-3-propan-2-ylpiperazin-1-yl]butan-1-amine (CID 45482239) is (2R)-N-benzyl-3-methyl-2-[(3R)-4-(3-methylbutyl)-3-propan-2-ylpiperazin-1-yl]butan-1-amine.
What is the SMILES notation for (2R)-N-benzyl-3-methyl-2-[(3R)-4-(3-methylbutyl)-3-propan-2-ylpiperazin-1-yl]butan-1-amine?
The canonical SMILES for (2R)-N-benzyl-3-methyl-2-[(3R)-4-(3-methylbutyl)-3-propan-2-ylpiperazin-1-yl]butan-1-amine is CC(C)CCN1CCN([C@@H](CNCc2ccccc2)C(C)C)C[C@H]1C(C)C.
What is the InChIKey of (2R)-N-benzyl-3-methyl-2-[(3R)-4-(3-methylbutyl)-3-propan-2-ylpiperazin-1-yl]butan-1-amine?
The InChIKey is HBWOTJZPLCDEDR-ZEQRLZLVSA-N. The full InChI is InChI=1S/C24H43N3/c1-19(2)12-13-26-14-15-27(18-24(26)21(5)6)23(20(3)4)17-25-16-22-10-8-7-9-11-22/h7-11,19-21,23-25H,12-18H2,1-6H3/t23-,24-/m0/s1.
What are the key properties of (2R)-N-benzyl-3-methyl-2-[(3R)-4-(3-methylbutyl)-3-propan-2-ylpiperazin-1-yl]butan-1-amine?
(2R)-N-benzyl-3-methyl-2-[(3R)-4-(3-methylbutyl)-3-propan-2-ylpiperazin-1-yl]butan-1-amine has a molecular weight of 373.63 g/mol, XLogP of 4.49, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-3-methyl-2-[(3R)-4-(3-methylbutyl)-3-propan-2-ylpiperazin-1-yl]butan-1-amine is sourced from PubChem (CID 45482239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).