3-(4-ethylpiperazin-1-yl)-2-methyl-2-phenylpropan-1-amine

C16H27N3 — CID 55051607

IUPAC3-(4-ethylpiperazin-1-yl)-2-methyl-2-phenylpropan-1-amine
SMILESCCN1CCN(CC(C)(CN)c2ccccc2)CC1
InChIInChI=1S/C16H27N3/c1-3-18-9-11-19(12-10-18)14-16(2,13-17)15-7-5-4-6-8-15/h4-8H,3,9-14,17H2,1-2H3
InChIKeyYWECOBPJDHNFIN-UHFFFAOYSA-N
MW261.41 g/mol
LogP1.54
Rot. Bonds5

About 3-(4-ethylpiperazin-1-yl)-2-methyl-2-phenylpropan-1-amine

3-(4-ethylpiperazin-1-yl)-2-methyl-2-phenylpropan-1-amine (PubChem CID 55051607) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-(4-ethylpiperazin-1-yl)-2-methyl-2-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(4-ethylpiperazin-1-yl)-2-methyl-2-phenylpropan-1-amine
PubChem CID55051607
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name3-(4-ethylpiperazin-1-yl)-2-methyl-2-phenylpropan-1-amine
SMILESCCN1CCN(CC(C)(CN)c2ccccc2)CC1
InChIInChI=1S/C16H27N3/c1-3-18-9-11-19(12-10-18)14-16(2,13-17)15-7-5-4-6-8-15/h4-8H,3,9-14,17H2,1-2H3
InChIKeyYWECOBPJDHNFIN-UHFFFAOYSA-N
XLogP1.54
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-2-phenylpropan-1-amine
CID 62257885
1-(3-amino-2-methyl-2-phenylpropyl)pyrrolidin-3-ol
CID 55131558
3-(4-ethylpiperazin-1-yl)-2-methyl-2-phenylpropanal
CID 62278646
3-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-phenylpropan-1-amine
CID 103539187
2-[1-(3-amino-2-methyl-2-phenylpropyl)piperidin-4-yl]oxyethanol
CID 82685523
1-(2,2-dimethyl-3-phenylpropyl)-4-ethylpiperazine
CID 144727735
3-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-2-phenylpropan-1-amine
CID 62263045
3-(3-ethylmorpholin-4-yl)-2-methyl-2-phenylpropan-1-amine
CID 55051592
3-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-phenylpropan-1-amine
CID 62329869
3-(azocan-1-yl)-N-ethyl-2-methyl-2-phenylpropan-1-amine
CID 62262873
2-methyl-2-phenyl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-ol
CID 62271685
2-methyl-2-phenyl-N-propyl-3-thiomorpholin-4-ylpropan-1-amine
CID 62261570

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperazin-1-yl)-2-methyl-2-phenylpropan-1-amine?
The IUPAC name of 3-(4-ethylpiperazin-1-yl)-2-methyl-2-phenylpropan-1-amine (CID 55051607) is 3-(4-ethylpiperazin-1-yl)-2-methyl-2-phenylpropan-1-amine.
What is the SMILES notation for 3-(4-ethylpiperazin-1-yl)-2-methyl-2-phenylpropan-1-amine?
The canonical SMILES for 3-(4-ethylpiperazin-1-yl)-2-methyl-2-phenylpropan-1-amine is CCN1CCN(CC(C)(CN)c2ccccc2)CC1.
What is the InChIKey of 3-(4-ethylpiperazin-1-yl)-2-methyl-2-phenylpropan-1-amine?
The InChIKey is YWECOBPJDHNFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-3-18-9-11-19(12-10-18)14-16(2,13-17)15-7-5-4-6-8-15/h4-8H,3,9-14,17H2,1-2H3.
What are the key properties of 3-(4-ethylpiperazin-1-yl)-2-methyl-2-phenylpropan-1-amine?
3-(4-ethylpiperazin-1-yl)-2-methyl-2-phenylpropan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperazin-1-yl)-2-methyl-2-phenylpropan-1-amine is sourced from PubChem (CID 55051607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).