benzyl 4-[(1-methylcyclopropyl)methyl]piperazine-1-carboxylate

C17H24N2O2 — CID 167628584

IUPACbenzyl 4-[(1-methylcyclopropyl)methyl]piperazine-1-carboxylate
SMILESCC1(CN2CCN(C(=O)OCc3ccccc3)CC2)CC1
InChIInChI=1S/C17H24N2O2/c1-17(7-8-17)14-18-9-11-19(12-10-18)16(20)21-13-15-5-3-2-4-6-15/h2-6H,7-14H2,1H3
InChIKeyNLQNRWMFGVTOSR-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.74
Rot. Bonds4

About benzyl 4-[(1-methylcyclopropyl)methyl]piperazine-1-carboxylate

benzyl 4-[(1-methylcyclopropyl)methyl]piperazine-1-carboxylate (PubChem CID 167628584) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is benzyl 4-[(1-methylcyclopropyl)methyl]piperazine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[(1-methylcyclopropyl)methyl]piperazine-1-carboxylate
PubChem CID167628584
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Namebenzyl 4-[(1-methylcyclopropyl)methyl]piperazine-1-carboxylate
SMILESCC1(CN2CCN(C(=O)OCc3ccccc3)CC2)CC1
InChIInChI=1S/C17H24N2O2/c1-17(7-8-17)14-18-9-11-19(12-10-18)16(20)21-13-15-5-3-2-4-6-15/h2-6H,7-14H2,1H3
InChIKeyNLQNRWMFGVTOSR-UHFFFAOYSA-N
XLogP2.74
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl aziridine-1-carboxylate;silane
CID 158496499
2-(4-methyl-1-phenylmethoxycarbonylpiperidin-4-yl)acetic acid
CID 167735638
benzyl 4-[(3-hydroxyazetidin-3-yl)methyl]piperazine-1-carboxylate
CID 169120416
tert-butyl 4-[(4-hydroxy-1-phenylmethoxycarbonylpiperidin-4-yl)methyl]piperazine-1-carboxylate
CID 172592582
benzyl 4-(2,2-dimethylpropyl)piperazine-1-carboxylate
CID 110290734
4-(methylamino)-1-phenylmethoxycarbonylpiperidine-4-carboxylic acid
CID 70380008
benzyl 4-(2-aminopropyl)piperazine-1-carboxylate
CID 69162546
benzyl 4-pentylpiperazine-1-carboxylate
CID 20795377
(3R)-3-methyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 71814981
benzyl 4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylate;ethane
CID 143991995
benzyl 4,7,10-tris[2-(ethylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododecane-1-carboxylate
CID 58987158

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[(1-methylcyclopropyl)methyl]piperazine-1-carboxylate?
The IUPAC name of benzyl 4-[(1-methylcyclopropyl)methyl]piperazine-1-carboxylate (CID 167628584) is benzyl 4-[(1-methylcyclopropyl)methyl]piperazine-1-carboxylate.
What is the SMILES notation for benzyl 4-[(1-methylcyclopropyl)methyl]piperazine-1-carboxylate?
The canonical SMILES for benzyl 4-[(1-methylcyclopropyl)methyl]piperazine-1-carboxylate is CC1(CN2CCN(C(=O)OCc3ccccc3)CC2)CC1.
What is the InChIKey of benzyl 4-[(1-methylcyclopropyl)methyl]piperazine-1-carboxylate?
The InChIKey is NLQNRWMFGVTOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-17(7-8-17)14-18-9-11-19(12-10-18)16(20)21-13-15-5-3-2-4-6-15/h2-6H,7-14H2,1H3.
What are the key properties of benzyl 4-[(1-methylcyclopropyl)methyl]piperazine-1-carboxylate?
benzyl 4-[(1-methylcyclopropyl)methyl]piperazine-1-carboxylate has a molecular weight of 288.39 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[(1-methylcyclopropyl)methyl]piperazine-1-carboxylate is sourced from PubChem (CID 167628584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).