(2-bromophenyl)methyl 4-propylpiperidine-4-carboxylate

C16H22BrNO2 — CID 82824789

IUPAC(2-bromophenyl)methyl 4-propylpiperidine-4-carboxylate
SMILESCCCC1(C(=O)OCc2ccccc2Br)CCNCC1
InChIInChI=1S/C16H22BrNO2/c1-2-7-16(8-10-18-11-9-16)15(19)20-12-13-5-3-4-6-14(13)17/h3-6,18H,2,7-12H2,1H3
InChIKeyLBDXNPQBPNOXQM-UHFFFAOYSA-N
MW340.26 g/mol
LogP3.66
Rot. Bonds5

About (2-bromophenyl)methyl 4-propylpiperidine-4-carboxylate

(2-bromophenyl)methyl 4-propylpiperidine-4-carboxylate (PubChem CID 82824789) has the molecular formula C16H22BrNO2 and a molecular weight of 340.26 g/mol. Its IUPAC name is (2-bromophenyl)methyl 4-propylpiperidine-4-carboxylate.

Molecular Properties

Compound Name(2-bromophenyl)methyl 4-propylpiperidine-4-carboxylate
PubChem CID82824789
Molecular FormulaC16H22BrNO2
Molecular Weight340.26 g/mol
Exact Mass339.08
IUPAC Name(2-bromophenyl)methyl 4-propylpiperidine-4-carboxylate
SMILESCCCC1(C(=O)OCc2ccccc2Br)CCNCC1
InChIInChI=1S/C16H22BrNO2/c1-2-7-16(8-10-18-11-9-16)15(19)20-12-13-5-3-4-6-14(13)17/h3-6,18H,2,7-12H2,1H3
InChIKeyLBDXNPQBPNOXQM-UHFFFAOYSA-N
XLogP3.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)methyl 4-propylpiperidine-4-carboxylate?
The IUPAC name of (2-bromophenyl)methyl 4-propylpiperidine-4-carboxylate (CID 82824789) is (2-bromophenyl)methyl 4-propylpiperidine-4-carboxylate.
What is the SMILES notation for (2-bromophenyl)methyl 4-propylpiperidine-4-carboxylate?
The canonical SMILES for (2-bromophenyl)methyl 4-propylpiperidine-4-carboxylate is CCCC1(C(=O)OCc2ccccc2Br)CCNCC1.
What is the InChIKey of (2-bromophenyl)methyl 4-propylpiperidine-4-carboxylate?
The InChIKey is LBDXNPQBPNOXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO2/c1-2-7-16(8-10-18-11-9-16)15(19)20-12-13-5-3-4-6-14(13)17/h3-6,18H,2,7-12H2,1H3.
What are the key properties of (2-bromophenyl)methyl 4-propylpiperidine-4-carboxylate?
(2-bromophenyl)methyl 4-propylpiperidine-4-carboxylate has a molecular weight of 340.26 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)methyl 4-propylpiperidine-4-carboxylate is sourced from PubChem (CID 82824789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).