1-phenyl-2-(4-propan-2-ylpiperazin-1-yl)butan-1-amine

C17H29N3 — CID 43585198

IUPAC1-phenyl-2-(4-propan-2-ylpiperazin-1-yl)butan-1-amine
SMILESCCC(C(N)c1ccccc1)N1CCN(C(C)C)CC1
InChIInChI=1S/C17H29N3/c1-4-16(17(18)15-8-6-5-7-9-15)20-12-10-19(11-13-20)14(2)3/h5-9,14,16-17H,4,10-13,18H2,1-3H3
InChIKeyIOBQBHANTQQJIZ-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.49
Rot. Bonds5

About 1-phenyl-2-(4-propan-2-ylpiperazin-1-yl)butan-1-amine

1-phenyl-2-(4-propan-2-ylpiperazin-1-yl)butan-1-amine (PubChem CID 43585198) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-phenyl-2-(4-propan-2-ylpiperazin-1-yl)butan-1-amine.

Molecular Properties

Compound Name1-phenyl-2-(4-propan-2-ylpiperazin-1-yl)butan-1-amine
PubChem CID43585198
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name1-phenyl-2-(4-propan-2-ylpiperazin-1-yl)butan-1-amine
SMILESCCC(C(N)c1ccccc1)N1CCN(C(C)C)CC1
InChIInChI=1S/C17H29N3/c1-4-16(17(18)15-8-6-5-7-9-15)20-12-10-19(11-13-20)14(2)3/h5-9,14,16-17H,4,10-13,18H2,1-3H3
InChIKeyIOBQBHANTQQJIZ-UHFFFAOYSA-N
XLogP2.49
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(4-propan-2-ylpiperazin-1-yl)butan-1-amine?
The IUPAC name of 1-phenyl-2-(4-propan-2-ylpiperazin-1-yl)butan-1-amine (CID 43585198) is 1-phenyl-2-(4-propan-2-ylpiperazin-1-yl)butan-1-amine.
What is the SMILES notation for 1-phenyl-2-(4-propan-2-ylpiperazin-1-yl)butan-1-amine?
The canonical SMILES for 1-phenyl-2-(4-propan-2-ylpiperazin-1-yl)butan-1-amine is CCC(C(N)c1ccccc1)N1CCN(C(C)C)CC1.
What is the InChIKey of 1-phenyl-2-(4-propan-2-ylpiperazin-1-yl)butan-1-amine?
The InChIKey is IOBQBHANTQQJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-4-16(17(18)15-8-6-5-7-9-15)20-12-10-19(11-13-20)14(2)3/h5-9,14,16-17H,4,10-13,18H2,1-3H3.
What are the key properties of 1-phenyl-2-(4-propan-2-ylpiperazin-1-yl)butan-1-amine?
1-phenyl-2-(4-propan-2-ylpiperazin-1-yl)butan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(4-propan-2-ylpiperazin-1-yl)butan-1-amine is sourced from PubChem (CID 43585198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).