2-(4-butan-2-ylpiperazin-1-yl)-N-methyl-1-phenylethanamine

C17H29N3 — CID 62773053

IUPAC2-(4-butan-2-ylpiperazin-1-yl)-N-methyl-1-phenylethanamine
SMILESCCC(C)N1CCN(CC(NC)c2ccccc2)CC1
InChIInChI=1S/C17H29N3/c1-4-15(2)20-12-10-19(11-13-20)14-17(18-3)16-8-6-5-7-9-16/h5-9,15,17-18H,4,10-14H2,1-3H3
InChIKeyFKSPYTBBGXVPAS-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.36
Rot. Bonds6

About 2-(4-butan-2-ylpiperazin-1-yl)-N-methyl-1-phenylethanamine

2-(4-butan-2-ylpiperazin-1-yl)-N-methyl-1-phenylethanamine (PubChem CID 62773053) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-(4-butan-2-ylpiperazin-1-yl)-N-methyl-1-phenylethanamine.

Molecular Properties

Compound Name2-(4-butan-2-ylpiperazin-1-yl)-N-methyl-1-phenylethanamine
PubChem CID62773053
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name2-(4-butan-2-ylpiperazin-1-yl)-N-methyl-1-phenylethanamine
SMILESCCC(C)N1CCN(CC(NC)c2ccccc2)CC1
InChIInChI=1S/C17H29N3/c1-4-15(2)20-12-10-19(11-13-20)14-17(18-3)16-8-6-5-7-9-16/h5-9,15,17-18H,4,10-14H2,1-3H3
InChIKeyFKSPYTBBGXVPAS-UHFFFAOYSA-N
XLogP2.36
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-[(2R)-butan-2-yl]piperazine
CID 2248321
1-(4-butan-2-ylpiperazin-1-yl)-N-methylbutan-2-amine
CID 62774213
1-[2-[(4-butan-2-ylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine
CID 62774841
N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]aniline
CID 62773685
(2S)-1-[4-[(1R)-1-phenylpropyl]piperazin-1-yl]propan-2-ol
CID 95345707
N-ethyl-1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)ethanamine
CID 103495170
N,N-dimethyl-1-[2-(methylamino)-2-phenylethyl]pyrrolidin-3-amine
CID 63164036
(3S)-1-[(2S)-2-(methylamino)-2-phenylethyl]pyrrolidin-3-ol;dihydrochloride
CID 23594216
(1R)-N-ethyl-1-phenyl-2-pyrrolidin-1-ylethanamine;molecular hydrogen
CID 143114287
N-methyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine;hydrochloride
CID 53487306
1-(4-benzhydrylpiperazin-1-yl)butan-2-ol
CID 20795195
2-[(3S)-3-methoxypyrrolidin-1-yl]-N-methyl-1-phenylethanamine
CID 135374431

Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-ylpiperazin-1-yl)-N-methyl-1-phenylethanamine?
The IUPAC name of 2-(4-butan-2-ylpiperazin-1-yl)-N-methyl-1-phenylethanamine (CID 62773053) is 2-(4-butan-2-ylpiperazin-1-yl)-N-methyl-1-phenylethanamine.
What is the SMILES notation for 2-(4-butan-2-ylpiperazin-1-yl)-N-methyl-1-phenylethanamine?
The canonical SMILES for 2-(4-butan-2-ylpiperazin-1-yl)-N-methyl-1-phenylethanamine is CCC(C)N1CCN(CC(NC)c2ccccc2)CC1.
What is the InChIKey of 2-(4-butan-2-ylpiperazin-1-yl)-N-methyl-1-phenylethanamine?
The InChIKey is FKSPYTBBGXVPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-4-15(2)20-12-10-19(11-13-20)14-17(18-3)16-8-6-5-7-9-16/h5-9,15,17-18H,4,10-14H2,1-3H3.
What are the key properties of 2-(4-butan-2-ylpiperazin-1-yl)-N-methyl-1-phenylethanamine?
2-(4-butan-2-ylpiperazin-1-yl)-N-methyl-1-phenylethanamine has a molecular weight of 275.44 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-ylpiperazin-1-yl)-N-methyl-1-phenylethanamine is sourced from PubChem (CID 62773053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).