5-(diethylamino)pentan-2-yl 4-methylpiperazine-1-carboxylate

C15H31N3O2 — CID 515584

IUPAC5-(diethylamino)pentan-2-yl 4-methylpiperazine-1-carboxylate
SMILESCCN(CC)CCCC(C)OC(=O)N1CCN(C)CC1
InChIInChI=1S/C15H31N3O2/c1-5-17(6-2)9-7-8-14(3)20-15(19)18-12-10-16(4)11-13-18/h14H,5-13H2,1-4H3
InChIKeyGAAWGBVZLNBFGA-UHFFFAOYSA-N
MW285.43 g/mol
LogP1.88
Rot. Bonds7

About 5-(diethylamino)pentan-2-yl 4-methylpiperazine-1-carboxylate

5-(diethylamino)pentan-2-yl 4-methylpiperazine-1-carboxylate (PubChem CID 515584) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 5-(diethylamino)pentan-2-yl 4-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Name5-(diethylamino)pentan-2-yl 4-methylpiperazine-1-carboxylate
PubChem CID515584
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Name5-(diethylamino)pentan-2-yl 4-methylpiperazine-1-carboxylate
SMILESCCN(CC)CCCC(C)OC(=O)N1CCN(C)CC1
InChIInChI=1S/C15H31N3O2/c1-5-17(6-2)9-7-8-14(3)20-15(19)18-12-10-16(4)11-13-18/h14H,5-13H2,1-4H3
InChIKeyGAAWGBVZLNBFGA-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

Ethyl 4-butylpiperazine-1-carboxylate
CID 116092
1-Piperazinecarboxylic acid, 4-(2-(dimethylamino)ethyl)-, isopropyl ester, hydrochloride
CID 212374
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-(2-(carboxypentylamino)ethyl)-, diisopropyl ester, hydrochloride
CID 212434
Piperidinium, 1,1-dimethyl-3-hydroxy-, bromide, dimethylcarbamate (ester)
CID 3051243
4-(Ethoxycarbonyl)-1-heptyl-1-methylpiperazin-1-ium bromide
CID 3066196
Tert-butyl 3-(aminooxy)piperidine-1-carboxylate
CID 68983062
(1-prop-2-ynylpiperidin-3-yl) N-ethyl-N-methylcarbamate
CID 162668773
Butyl piperidine-1-carboxylate
CID 232662
1-Piperidinecarboxylic acid, isopropyl ester
CID 239243
Ethyl 4-propylpiperazine-1-carboxylate
CID 116099

Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)pentan-2-yl 4-methylpiperazine-1-carboxylate?
The IUPAC name of 5-(diethylamino)pentan-2-yl 4-methylpiperazine-1-carboxylate (CID 515584) is 5-(diethylamino)pentan-2-yl 4-methylpiperazine-1-carboxylate.
What is the SMILES notation for 5-(diethylamino)pentan-2-yl 4-methylpiperazine-1-carboxylate?
The canonical SMILES for 5-(diethylamino)pentan-2-yl 4-methylpiperazine-1-carboxylate is CCN(CC)CCCC(C)OC(=O)N1CCN(C)CC1.
What is the InChIKey of 5-(diethylamino)pentan-2-yl 4-methylpiperazine-1-carboxylate?
The InChIKey is GAAWGBVZLNBFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-5-17(6-2)9-7-8-14(3)20-15(19)18-12-10-16(4)11-13-18/h14H,5-13H2,1-4H3.
What are the key properties of 5-(diethylamino)pentan-2-yl 4-methylpiperazine-1-carboxylate?
5-(diethylamino)pentan-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 5-(diethylamino)pentan-2-yl 4-methylpiperazine-1-carboxylate is sourced from PubChem (CID 515584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).