methyl 1-(4-benzylpiperazin-1-yl)cyclopropane-1-carboxylate

C16H22N2O2 — CID 164519909

IUPACmethyl 1-(4-benzylpiperazin-1-yl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(N2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C16H22N2O2/c1-20-15(19)16(7-8-16)18-11-9-17(10-12-18)13-14-5-3-2-4-6-14/h2-6H,7-13H2,1H3
InChIKeyYCSWZAISOHRSIK-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.51
Rot. Bonds4

About methyl 1-(4-benzylpiperazin-1-yl)cyclopropane-1-carboxylate

methyl 1-(4-benzylpiperazin-1-yl)cyclopropane-1-carboxylate (PubChem CID 164519909) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is methyl 1-(4-benzylpiperazin-1-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-benzylpiperazin-1-yl)cyclopropane-1-carboxylate
PubChem CID164519909
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Namemethyl 1-(4-benzylpiperazin-1-yl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(N2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C16H22N2O2/c1-20-15(19)16(7-8-16)18-11-9-17(10-12-18)13-14-5-3-2-4-6-14/h2-6H,7-13H2,1H3
InChIKeyYCSWZAISOHRSIK-UHFFFAOYSA-N
XLogP1.51
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-amino-1-benzylpiperidine-4-carboxylate
CID 3044632
1-[1-(4-benzylpiperazin-1-yl)cyclopropyl]-2-(2-methoxyphenyl)ethanone
CID 147602022
1-(4-benzylpiperazin-1-yl)cyclohexane-1-carboxamide;dihydrochloride
CID 22314798
1-(4-benzylpiperazin-1-yl)-N-(2-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 137390918
methyl 3-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]oxetane-3-carboxylate
CID 118429345
methyl 2-(1-benzyl-4-hydroxypiperidin-4-yl)butanoate
CID 62394914
methyl 3-(aminomethyl)-1-benzylpyrrolidine-3-carboxylate
CID 67228894
CID 88579615
CID 88579615
[1-(4-benzylpiperazin-1-yl)cyclopropyl]methanol
CID 126508832
methyl 1-benzyl-4-[2-oxo-2-(N-phenylanilino)ethyl]piperidine-4-carboxylate
CID 170355482
hydroxylamine;methyl 1-benzyl-3-ethylpyrrolidine-3-carboxylate
CID 143488487
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-benzylpiperazin-1-yl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(4-benzylpiperazin-1-yl)cyclopropane-1-carboxylate (CID 164519909) is methyl 1-(4-benzylpiperazin-1-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(4-benzylpiperazin-1-yl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(4-benzylpiperazin-1-yl)cyclopropane-1-carboxylate is COC(=O)C1(N2CCN(Cc3ccccc3)CC2)CC1.
What is the InChIKey of methyl 1-(4-benzylpiperazin-1-yl)cyclopropane-1-carboxylate?
The InChIKey is YCSWZAISOHRSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-20-15(19)16(7-8-16)18-11-9-17(10-12-18)13-14-5-3-2-4-6-14/h2-6H,7-13H2,1H3.
What are the key properties of methyl 1-(4-benzylpiperazin-1-yl)cyclopropane-1-carboxylate?
methyl 1-(4-benzylpiperazin-1-yl)cyclopropane-1-carboxylate has a molecular weight of 274.36 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-benzylpiperazin-1-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 164519909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).