benzyl 3-(cyclopropyloxymethyl)piperazine-1-carboxylate

C16H22N2O3 — CID 175550665

IUPACbenzyl 3-(cyclopropyloxymethyl)piperazine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCNC(COC2CC2)C1
InChIInChI=1S/C16H22N2O3/c19-16(21-11-13-4-2-1-3-5-13)18-9-8-17-14(10-18)12-20-15-6-7-15/h1-5,14-15,17H,6-12H2
InChIKeyYVPLOLJAEKBBES-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.78
Rot. Bonds5

About benzyl 3-(cyclopropyloxymethyl)piperazine-1-carboxylate

benzyl 3-(cyclopropyloxymethyl)piperazine-1-carboxylate (PubChem CID 175550665) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is benzyl 3-(cyclopropyloxymethyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-(cyclopropyloxymethyl)piperazine-1-carboxylate
PubChem CID175550665
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Namebenzyl 3-(cyclopropyloxymethyl)piperazine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCNC(COC2CC2)C1
InChIInChI=1S/C16H22N2O3/c19-16(21-11-13-4-2-1-3-5-13)18-9-8-17-14(10-18)12-20-15-6-7-15/h1-5,14-15,17H,6-12H2
InChIKeyYVPLOLJAEKBBES-UHFFFAOYSA-N
XLogP1.78
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 3-benzylpiperazine-1-carboxylate;hydrochloride
CID 75088473
benzyl 3-(pent-4-enoxymethyl)piperazine-1-carboxylate
CID 170562977
benzyl (3R)-3-(2-methylpropyl)piperazine-1-carboxylate;hydrochloride
CID 45072616
benzyl (3R)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxylate
CID 129379459
benzyl (3R)-3-propan-2-ylpiperazine-1-carboxylate
CID 45072623
2-methylpropyl 3-benzylpiperazine-1-carboxylate
CID 82248433
1-O-benzyl 3-O-methyl (3S)-piperazine-1,3-dicarboxylate;hydrochloride
CID 45072570
1-O-benzyl 3-O-methyl (3R)-piperazine-1,3-dicarboxylate;hydrochloride
CID 45072569
benzyl (3R)-3-[2-(2-cyanoanilino)ethyl]piperazine-1-carboxylate
CID 91596290
benzyl 4-[(1-hydroxycyclopropyl)methoxy]piperidine-1-carboxylate
CID 129278212
benzyl 3-[[bis[(4-methoxyphenyl)methyl]amino]methyl]piperazine-1-carboxylate
CID 177261956
benzyl (3R)-3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazine-1-carboxylate
CID 91537627

Frequently Asked Questions

What is the IUPAC name of benzyl 3-(cyclopropyloxymethyl)piperazine-1-carboxylate?
The IUPAC name of benzyl 3-(cyclopropyloxymethyl)piperazine-1-carboxylate (CID 175550665) is benzyl 3-(cyclopropyloxymethyl)piperazine-1-carboxylate.
What is the SMILES notation for benzyl 3-(cyclopropyloxymethyl)piperazine-1-carboxylate?
The canonical SMILES for benzyl 3-(cyclopropyloxymethyl)piperazine-1-carboxylate is O=C(OCc1ccccc1)N1CCNC(COC2CC2)C1.
What is the InChIKey of benzyl 3-(cyclopropyloxymethyl)piperazine-1-carboxylate?
The InChIKey is YVPLOLJAEKBBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-16(21-11-13-4-2-1-3-5-13)18-9-8-17-14(10-18)12-20-15-6-7-15/h1-5,14-15,17H,6-12H2.
What are the key properties of benzyl 3-(cyclopropyloxymethyl)piperazine-1-carboxylate?
benzyl 3-(cyclopropyloxymethyl)piperazine-1-carboxylate has a molecular weight of 290.36 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-(cyclopropyloxymethyl)piperazine-1-carboxylate is sourced from PubChem (CID 175550665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).