1-(dipropylamino)propan-2-yl 4-methylpiperazine-1-carboxylate

C15H31N3O2 — CID 515582

IUPAC1-(dipropylamino)propan-2-yl 4-methylpiperazine-1-carboxylate
SMILESCCCN(CCC)CC(C)OC(=O)N1CCN(C)CC1
InChIInChI=1S/C15H31N3O2/c1-5-7-17(8-6-2)13-14(3)20-15(19)18-11-9-16(4)10-12-18/h14H,5-13H2,1-4H3
InChIKeyBRNAJZGRTVZNBA-UHFFFAOYSA-N
MW285.43 g/mol
LogP1.88
Rot. Bonds7

About 1-(dipropylamino)propan-2-yl 4-methylpiperazine-1-carboxylate

1-(dipropylamino)propan-2-yl 4-methylpiperazine-1-carboxylate (PubChem CID 515582) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 1-(dipropylamino)propan-2-yl 4-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Name1-(dipropylamino)propan-2-yl 4-methylpiperazine-1-carboxylate
PubChem CID515582
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Name1-(dipropylamino)propan-2-yl 4-methylpiperazine-1-carboxylate
SMILESCCCN(CCC)CC(C)OC(=O)N1CCN(C)CC1
InChIInChI=1S/C15H31N3O2/c1-5-7-17(8-6-2)13-14(3)20-15(19)18-11-9-16(4)10-12-18/h14H,5-13H2,1-4H3
InChIKeyBRNAJZGRTVZNBA-UHFFFAOYSA-N
XLogP1.88
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Piperazinecarboxylic acid, 4-methyl-, 2-(diethylamino)ethyl ester
CID 199462
Ethyl 4-(butan-2-yl)piperazine-1-carboxylate
CID 115502
Ethyl 4-butylpiperazine-1-carboxylate
CID 116092
1-Piperazinecarboxylic acid, 4-propyl-, ethyl ester, hydrochloride
CID 116098
1-Piperidinecarboxylic acid, diethylaminoethyl ester
CID 410183
1-Piperazinecarboxylic acid, 4-(2-(dimethylamino)ethyl)-, isopropyl ester, hydrochloride
CID 212374
1-Piperazinecarboxylic acid, 4-(2-(diethylamino)ethyl)-, propyl ester, hydrochloride
CID 212384
1-Piperazinecarboxylic acid, 4-(2-(diethylamino)ethyl)-, isopropyl ester, hydrochloride
CID 212386
1-Piperazinecarboxylic acid, 4-(2-(dibutylamino)ethyl)-, isopropyl ester, hydrochloride
CID 212412
1-Piperazinecarboxylic acid, 4-(3-(dimethylamino)propyl)-, ethyl ester, hydrochloride
CID 212475
Tert-butyl 4-(oxiran-2-ylmethyl)piperazine-1-carboxylate
CID 15491146
tert-Butyl 4-(2-hydroxypropyl)piperazine-1-carboxylate
CID 52984109

Frequently Asked Questions

What is the IUPAC name of 1-(dipropylamino)propan-2-yl 4-methylpiperazine-1-carboxylate?
The IUPAC name of 1-(dipropylamino)propan-2-yl 4-methylpiperazine-1-carboxylate (CID 515582) is 1-(dipropylamino)propan-2-yl 4-methylpiperazine-1-carboxylate.
What is the SMILES notation for 1-(dipropylamino)propan-2-yl 4-methylpiperazine-1-carboxylate?
The canonical SMILES for 1-(dipropylamino)propan-2-yl 4-methylpiperazine-1-carboxylate is CCCN(CCC)CC(C)OC(=O)N1CCN(C)CC1.
What is the InChIKey of 1-(dipropylamino)propan-2-yl 4-methylpiperazine-1-carboxylate?
The InChIKey is BRNAJZGRTVZNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-5-7-17(8-6-2)13-14(3)20-15(19)18-11-9-16(4)10-12-18/h14H,5-13H2,1-4H3.
What are the key properties of 1-(dipropylamino)propan-2-yl 4-methylpiperazine-1-carboxylate?
1-(dipropylamino)propan-2-yl 4-methylpiperazine-1-carboxylate has a molecular weight of 285.43 g/mol, XLogP of 1.88, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dipropylamino)propan-2-yl 4-methylpiperazine-1-carboxylate is sourced from PubChem (CID 515582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).