methyl 4-(1-methyl-4-phenylpiperidin-4-yl)piperazine-1-carboxylate

C18H27N3O2 — CID 110409495

IUPACmethyl 4-(1-methyl-4-phenylpiperidin-4-yl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C2(c3ccccc3)CCN(C)CC2)CC1
InChIInChI=1S/C18H27N3O2/c1-19-10-8-18(9-11-19,16-6-4-3-5-7-16)21-14-12-20(13-15-21)17(22)23-2/h3-7H,8-15H2,1-2H3
InChIKeyCEYWJIPTQOGSIT-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.99
Rot. Bonds2

About methyl 4-(1-methyl-4-phenylpiperidin-4-yl)piperazine-1-carboxylate

methyl 4-(1-methyl-4-phenylpiperidin-4-yl)piperazine-1-carboxylate (PubChem CID 110409495) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is methyl 4-(1-methyl-4-phenylpiperidin-4-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(1-methyl-4-phenylpiperidin-4-yl)piperazine-1-carboxylate
PubChem CID110409495
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Namemethyl 4-(1-methyl-4-phenylpiperidin-4-yl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C2(c3ccccc3)CCN(C)CC2)CC1
InChIInChI=1S/C18H27N3O2/c1-19-10-8-18(9-11-19,16-6-4-3-5-7-16)21-14-12-20(13-15-21)17(22)23-2/h3-7H,8-15H2,1-2H3
InChIKeyCEYWJIPTQOGSIT-UHFFFAOYSA-N
XLogP1.99
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(1-methyl-4-phenylpiperidin-4-yl)piperazine-1-carboxylate?
The IUPAC name of methyl 4-(1-methyl-4-phenylpiperidin-4-yl)piperazine-1-carboxylate (CID 110409495) is methyl 4-(1-methyl-4-phenylpiperidin-4-yl)piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-(1-methyl-4-phenylpiperidin-4-yl)piperazine-1-carboxylate?
The canonical SMILES for methyl 4-(1-methyl-4-phenylpiperidin-4-yl)piperazine-1-carboxylate is COC(=O)N1CCN(C2(c3ccccc3)CCN(C)CC2)CC1.
What is the InChIKey of methyl 4-(1-methyl-4-phenylpiperidin-4-yl)piperazine-1-carboxylate?
The InChIKey is CEYWJIPTQOGSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-19-10-8-18(9-11-19,16-6-4-3-5-7-16)21-14-12-20(13-15-21)17(22)23-2/h3-7H,8-15H2,1-2H3.
What are the key properties of methyl 4-(1-methyl-4-phenylpiperidin-4-yl)piperazine-1-carboxylate?
methyl 4-(1-methyl-4-phenylpiperidin-4-yl)piperazine-1-carboxylate has a molecular weight of 317.43 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1-methyl-4-phenylpiperidin-4-yl)piperazine-1-carboxylate is sourced from PubChem (CID 110409495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).