pyridin-4-ylmethyl 4-phenylpiperazine-1-carboxylate

C17H19N3O2 — CID 44511304

IUPACpyridin-4-ylmethyl 4-phenylpiperazine-1-carboxylate
SMILESO=C(OCc1ccncc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H19N3O2/c21-17(22-14-15-6-8-18-9-7-15)20-12-10-19(11-13-20)16-4-2-1-3-5-16/h1-9H,10-14H2
InChIKeySGAIFSAUBDMCOZ-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.54
Rot. Bonds3

About pyridin-4-ylmethyl 4-phenylpiperazine-1-carboxylate

pyridin-4-ylmethyl 4-phenylpiperazine-1-carboxylate (PubChem CID 44511304) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is pyridin-4-ylmethyl 4-phenylpiperazine-1-carboxylate.

Molecular Properties

Compound Namepyridin-4-ylmethyl 4-phenylpiperazine-1-carboxylate
PubChem CID44511304
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Namepyridin-4-ylmethyl 4-phenylpiperazine-1-carboxylate
SMILESO=C(OCc1ccncc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H19N3O2/c21-17(22-14-15-6-8-18-9-7-15)20-12-10-19(11-13-20)16-4-2-1-3-5-16/h1-9H,10-14H2
InChIKeySGAIFSAUBDMCOZ-UHFFFAOYSA-N
XLogP2.54
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate
CID 54123735
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl 4-(pyridine-4-carbonyl)-1,4-diazepane-1-carboxylate
CID 110798888
benzyl 4-(5-bromo-3-pyridinyl)piperazine-1-carboxylate
CID 133397558
benzyl 4-(2-hydroxyphenyl)piperazine-1-carboxylate
CID 19034142
1-(4-phenyl-1,4-diazepan-1-yl)-2-pyridin-4-ylethanone
CID 91781163
benzyl 4-[4-(3,4-dihydro-2H-quinoxalin-1-yl)phenyl]piperazine-1-carboxylate
CID 66863213
benzyl 4-(2-aminophenyl)piperazine-1-carboxylate
CID 118318710
1-O-benzyl 4-O-pyridin-3-yl piperazine-1,4-dicarboxylate
CID 58417900
2,2-dimethyl-3-oxo-3-(4-phenylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)propanamide
CID 108963654
2,2,2-trichloroethyl 4-phenylpiperazine-1-carboxylate
CID 101452211

Frequently Asked Questions

What is the IUPAC name of pyridin-4-ylmethyl 4-phenylpiperazine-1-carboxylate?
The IUPAC name of pyridin-4-ylmethyl 4-phenylpiperazine-1-carboxylate (CID 44511304) is pyridin-4-ylmethyl 4-phenylpiperazine-1-carboxylate.
What is the SMILES notation for pyridin-4-ylmethyl 4-phenylpiperazine-1-carboxylate?
The canonical SMILES for pyridin-4-ylmethyl 4-phenylpiperazine-1-carboxylate is O=C(OCc1ccncc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of pyridin-4-ylmethyl 4-phenylpiperazine-1-carboxylate?
The InChIKey is SGAIFSAUBDMCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c21-17(22-14-15-6-8-18-9-7-15)20-12-10-19(11-13-20)16-4-2-1-3-5-16/h1-9H,10-14H2.
What are the key properties of pyridin-4-ylmethyl 4-phenylpiperazine-1-carboxylate?
pyridin-4-ylmethyl 4-phenylpiperazine-1-carboxylate has a molecular weight of 297.36 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-4-ylmethyl 4-phenylpiperazine-1-carboxylate is sourced from PubChem (CID 44511304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).