methyl 4-(4-methyl-2-phenylpiperazin-1-yl)butanoate

C16H24N2O2 — CID 43377701

IUPACmethyl 4-(4-methyl-2-phenylpiperazin-1-yl)butanoate
SMILESCOC(=O)CCCN1CCN(C)CC1c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-17-11-12-18(10-6-9-16(19)20-2)15(13-17)14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-13H2,1-2H3
InChIKeyOLTIMCXEKVABAK-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.93
Rot. Bonds5

About methyl 4-(4-methyl-2-phenylpiperazin-1-yl)butanoate

methyl 4-(4-methyl-2-phenylpiperazin-1-yl)butanoate (PubChem CID 43377701) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is methyl 4-(4-methyl-2-phenylpiperazin-1-yl)butanoate.

Molecular Properties

Compound Namemethyl 4-(4-methyl-2-phenylpiperazin-1-yl)butanoate
PubChem CID43377701
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Namemethyl 4-(4-methyl-2-phenylpiperazin-1-yl)butanoate
SMILESCOC(=O)CCCN1CCN(C)CC1c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-17-11-12-18(10-6-9-16(19)20-2)15(13-17)14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-13H2,1-2H3
InChIKeyOLTIMCXEKVABAK-UHFFFAOYSA-N
XLogP1.93
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methyl-2-phenylpiperazin-1-yl)pentan-1-ol
CID 62227844
3-(4-methyl-2-phenylpiperazin-1-yl)propan-1-ol
CID 43393739
1-methoxy-3-(4-methyl-2-phenylpiperazin-1-yl)propan-2-one
CID 107507077
N-[3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propyl]-3-phenylpropanamide
CID 37295921
2-(2-methoxyphenyl)-N-[3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propyl]acetamide
CID 37295525
(2R)-N-[3-[(2R)-4-methyl-2-phenylpiperazin-1-yl]propyl]-2-phenylbutanamide
CID 124813932
3,3-dimethyl-1-(4-methyl-2-phenylpiperazin-1-yl)butan-2-one
CID 43229060
3-(4-methyl-2-phenylpiperazin-1-yl)propanal
CID 63039379
N-(2-methyl-4-oxopentan-2-yl)-3-[(2R)-4-methyl-2-phenylpiperazin-1-yl]propanamide
CID 98706500
N-[2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]ethyl]cyclobutanecarboxamide
CID 33403212
methyl 3-[(7R)-5-oxo-7-phenyl-1,4-diazepan-1-yl]propanoate
CID 97062578
1-ethyl-3-(2-methoxyethyl)-2-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 110939947

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-methyl-2-phenylpiperazin-1-yl)butanoate?
The IUPAC name of methyl 4-(4-methyl-2-phenylpiperazin-1-yl)butanoate (CID 43377701) is methyl 4-(4-methyl-2-phenylpiperazin-1-yl)butanoate.
What is the SMILES notation for methyl 4-(4-methyl-2-phenylpiperazin-1-yl)butanoate?
The canonical SMILES for methyl 4-(4-methyl-2-phenylpiperazin-1-yl)butanoate is COC(=O)CCCN1CCN(C)CC1c1ccccc1.
What is the InChIKey of methyl 4-(4-methyl-2-phenylpiperazin-1-yl)butanoate?
The InChIKey is OLTIMCXEKVABAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-17-11-12-18(10-6-9-16(19)20-2)15(13-17)14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-13H2,1-2H3.
What are the key properties of methyl 4-(4-methyl-2-phenylpiperazin-1-yl)butanoate?
methyl 4-(4-methyl-2-phenylpiperazin-1-yl)butanoate has a molecular weight of 276.38 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-methyl-2-phenylpiperazin-1-yl)butanoate is sourced from PubChem (CID 43377701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).