phenyl 4-(3-methoxypropyl)-3,5-dimethylpiperazine-1-carboxylate

C17H26N2O3 — CID 110413023

IUPACphenyl 4-(3-methoxypropyl)-3,5-dimethylpiperazine-1-carboxylate
SMILESCOCCCN1C(C)CN(C(=O)Oc2ccccc2)CC1C
InChIInChI=1S/C17H26N2O3/c1-14-12-18(13-15(2)19(14)10-7-11-21-3)17(20)22-16-8-5-4-6-9-16/h4-6,8-9,14-15H,7,10-13H2,1-3H3
InChIKeyXPVCIDPDYYHEOM-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.62
Rot. Bonds5

About phenyl 4-(3-methoxypropyl)-3,5-dimethylpiperazine-1-carboxylate

phenyl 4-(3-methoxypropyl)-3,5-dimethylpiperazine-1-carboxylate (PubChem CID 110413023) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is phenyl 4-(3-methoxypropyl)-3,5-dimethylpiperazine-1-carboxylate.

Molecular Properties

Compound Namephenyl 4-(3-methoxypropyl)-3,5-dimethylpiperazine-1-carboxylate
PubChem CID110413023
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Namephenyl 4-(3-methoxypropyl)-3,5-dimethylpiperazine-1-carboxylate
SMILESCOCCCN1C(C)CN(C(=O)Oc2ccccc2)CC1C
InChIInChI=1S/C17H26N2O3/c1-14-12-18(13-15(2)19(14)10-7-11-21-3)17(20)22-16-8-5-4-6-9-16/h4-6,8-9,14-15H,7,10-13H2,1-3H3
InChIKeyXPVCIDPDYYHEOM-UHFFFAOYSA-N
XLogP2.62
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-(3-methoxypropyl)-3,5-dimethylpiperazin-1-yl]-(4-phenylphenyl)methanone
CID 110413017
4-(2-methoxyethyl)-3,5-dimethyl-N-phenylpiperazine-1-carboxamide
CID 110290209
ethyl 4-(2-methoxyethyl)-3,5-dimethylpiperazine-1-carboxylate
CID 110290231
phenyl (2S,6R)-2,6-dimethylmorpholine-4-carboxylate
CID 95358431
1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-3,3-diphenylpropan-1-one
CID 110290192
2-(4-fluorophenyl)-1-[4-(3-methoxypropyl)-3,5-dimethylpiperazin-1-yl]ethanone
CID 110412995
2-(3-fluorophenyl)-1-[4-(3-methoxypropyl)-3,5-dimethylpiperazin-1-yl]ethanone
CID 110662541
(2-chlorophenyl)-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]methanone
CID 110290214
1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-2-methyl-3-phenylpropan-1-one
CID 110354446
phenyl 3-amino-4-methylpyrrolidine-1-carboxylate
CID 103576204
phenyl 3-(methoxymethyl)pyrrolidine-1-carboxylate
CID 64591522
N-cyclopropyl-4-(3-methoxypropyl)-3,5-dimethylpiperazine-1-carboxamide
CID 110616565

Frequently Asked Questions

What is the IUPAC name of phenyl 4-(3-methoxypropyl)-3,5-dimethylpiperazine-1-carboxylate?
The IUPAC name of phenyl 4-(3-methoxypropyl)-3,5-dimethylpiperazine-1-carboxylate (CID 110413023) is phenyl 4-(3-methoxypropyl)-3,5-dimethylpiperazine-1-carboxylate.
What is the SMILES notation for phenyl 4-(3-methoxypropyl)-3,5-dimethylpiperazine-1-carboxylate?
The canonical SMILES for phenyl 4-(3-methoxypropyl)-3,5-dimethylpiperazine-1-carboxylate is COCCCN1C(C)CN(C(=O)Oc2ccccc2)CC1C.
What is the InChIKey of phenyl 4-(3-methoxypropyl)-3,5-dimethylpiperazine-1-carboxylate?
The InChIKey is XPVCIDPDYYHEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-14-12-18(13-15(2)19(14)10-7-11-21-3)17(20)22-16-8-5-4-6-9-16/h4-6,8-9,14-15H,7,10-13H2,1-3H3.
What are the key properties of phenyl 4-(3-methoxypropyl)-3,5-dimethylpiperazine-1-carboxylate?
phenyl 4-(3-methoxypropyl)-3,5-dimethylpiperazine-1-carboxylate has a molecular weight of 306.41 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-(3-methoxypropyl)-3,5-dimethylpiperazine-1-carboxylate is sourced from PubChem (CID 110413023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).