2-methyl-2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]butan-1-amine

C17H29N3 — CID 62263763

IUPAC2-methyl-2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]butan-1-amine
SMILESCCC(C)(CN)CN1CCN(C)CC1c1ccccc1
InChIInChI=1S/C17H29N3/c1-4-17(2,13-18)14-20-11-10-19(3)12-16(20)15-8-6-5-7-9-15/h5-9,16H,4,10-14,18H2,1-3H3
InChIKeyQSEFJTFORSPDKS-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.35
Rot. Bonds5

About 2-methyl-2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]butan-1-amine

2-methyl-2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]butan-1-amine (PubChem CID 62263763) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-methyl-2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name2-methyl-2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]butan-1-amine
PubChem CID62263763
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name2-methyl-2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]butan-1-amine
SMILESCCC(C)(CN)CN1CCN(C)CC1c1ccccc1
InChIInChI=1S/C17H29N3/c1-4-17(2,13-18)14-20-11-10-19(3)12-16(20)15-8-6-5-7-9-15/h5-9,16H,4,10-14,18H2,1-3H3
InChIKeyQSEFJTFORSPDKS-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-1-(4-methyl-2-phenylpiperazin-1-yl)butan-2-one
CID 43229060
[2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]phenyl]methanamine
CID 18070759
1-(4-methyl-2-phenylpiperazin-1-yl)pentan-2-amine
CID 43650407
3,3,3-trifluoro-2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]propan-1-amine
CID 103366096
3-(4-methyl-2-phenylpiperazin-1-yl)propan-1-ol
CID 43393739
4-[(4-methyl-2-phenylpiperazin-1-yl)methyl]oxolan-3-amine
CID 66235294
3-(4-methyl-2-phenylpiperazin-1-yl)propanal
CID 63039379
(2R)-1-(4-methyl-2-phenylpiperazin-1-yl)propan-2-ol
CID 113354637
[5-[(4-methyl-2-phenylpiperazin-1-yl)methyl]oxolan-2-yl]methanamine
CID 62425279
5-(4-methyl-2-phenylpiperazin-1-yl)pentan-1-ol
CID 62227844
1-[(3,3-dimethyloxiran-2-yl)methyl]-4-methyl-2-phenylpiperazine
CID 167753879
(2R)-1-[2-(2-ethylpyrazol-3-yl)ethyl]-4-methyl-2-phenylpiperazine
CID 124883835

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]butan-1-amine?
The IUPAC name of 2-methyl-2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]butan-1-amine (CID 62263763) is 2-methyl-2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]butan-1-amine.
What is the SMILES notation for 2-methyl-2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]butan-1-amine?
The canonical SMILES for 2-methyl-2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]butan-1-amine is CCC(C)(CN)CN1CCN(C)CC1c1ccccc1.
What is the InChIKey of 2-methyl-2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]butan-1-amine?
The InChIKey is QSEFJTFORSPDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-4-17(2,13-18)14-20-11-10-19(3)12-16(20)15-8-6-5-7-9-15/h5-9,16H,4,10-14,18H2,1-3H3.
What are the key properties of 2-methyl-2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]butan-1-amine?
2-methyl-2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]butan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]butan-1-amine is sourced from PubChem (CID 62263763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).