(3,4-dichlorophenyl)methyl 4-[(4-hydroxyphenoxy)methyl]piperidine-1-carboxylate

C20H21Cl2NO4 — CID 67237810

IUPAC(3,4-dichlorophenyl)methyl 4-[(4-hydroxyphenoxy)methyl]piperidine-1-carboxylate
SMILESO=C(OCc1ccc(Cl)c(Cl)c1)N1CCC(COc2ccc(O)cc2)CC1
InChIInChI=1S/C20H21Cl2NO4/c21-18-6-1-15(11-19(18)22)13-27-20(25)23-9-7-14(8-10-23)12-26-17-4-2-16(24)3-5-17/h1-6,11,14,24H,7-10,12-13H2
InChIKeyVTEGKLUTMGHSFJ-UHFFFAOYSA-N
MW410.30 g/mol
LogP5.13
Rot. Bonds5

About (3,4-dichlorophenyl)methyl 4-[(4-hydroxyphenoxy)methyl]piperidine-1-carboxylate

(3,4-dichlorophenyl)methyl 4-[(4-hydroxyphenoxy)methyl]piperidine-1-carboxylate (PubChem CID 67237810) has the molecular formula C20H21Cl2NO4 and a molecular weight of 410.30 g/mol. Its IUPAC name is (3,4-dichlorophenyl)methyl 4-[(4-hydroxyphenoxy)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name(3,4-dichlorophenyl)methyl 4-[(4-hydroxyphenoxy)methyl]piperidine-1-carboxylate
PubChem CID67237810
Molecular FormulaC20H21Cl2NO4
Molecular Weight410.30 g/mol
Exact Mass409.08
IUPAC Name(3,4-dichlorophenyl)methyl 4-[(4-hydroxyphenoxy)methyl]piperidine-1-carboxylate
SMILESO=C(OCc1ccc(Cl)c(Cl)c1)N1CCC(COc2ccc(O)cc2)CC1
InChIInChI=1S/C20H21Cl2NO4/c21-18-6-1-15(11-19(18)22)13-27-20(25)23-9-7-14(8-10-23)12-26-17-4-2-16(24)3-5-17/h1-6,11,14,24H,7-10,12-13H2
InChIKeyVTEGKLUTMGHSFJ-UHFFFAOYSA-N
XLogP5.13
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.30
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)methyl 4-[(4-hydroxyphenoxy)methyl]piperidine-1-carboxylate?
The IUPAC name of (3,4-dichlorophenyl)methyl 4-[(4-hydroxyphenoxy)methyl]piperidine-1-carboxylate (CID 67237810) is (3,4-dichlorophenyl)methyl 4-[(4-hydroxyphenoxy)methyl]piperidine-1-carboxylate.
What is the SMILES notation for (3,4-dichlorophenyl)methyl 4-[(4-hydroxyphenoxy)methyl]piperidine-1-carboxylate?
The canonical SMILES for (3,4-dichlorophenyl)methyl 4-[(4-hydroxyphenoxy)methyl]piperidine-1-carboxylate is O=C(OCc1ccc(Cl)c(Cl)c1)N1CCC(COc2ccc(O)cc2)CC1.
What is the InChIKey of (3,4-dichlorophenyl)methyl 4-[(4-hydroxyphenoxy)methyl]piperidine-1-carboxylate?
The InChIKey is VTEGKLUTMGHSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2NO4/c21-18-6-1-15(11-19(18)22)13-27-20(25)23-9-7-14(8-10-23)12-26-17-4-2-16(24)3-5-17/h1-6,11,14,24H,7-10,12-13H2.
What are the key properties of (3,4-dichlorophenyl)methyl 4-[(4-hydroxyphenoxy)methyl]piperidine-1-carboxylate?
(3,4-dichlorophenyl)methyl 4-[(4-hydroxyphenoxy)methyl]piperidine-1-carboxylate has a molecular weight of 410.30 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)methyl 4-[(4-hydroxyphenoxy)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 67237810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).