ethyl 4-[(4-ethoxyphenyl)-phenylmethoxy]piperidine-1-carboxylate

C23H29NO4 — CID 10385289

IUPACethyl 4-[(4-ethoxyphenyl)-phenylmethoxy]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(OC(c2ccccc2)c2ccc(OCC)cc2)CC1
InChIInChI=1S/C23H29NO4/c1-3-26-20-12-10-19(11-13-20)22(18-8-6-5-7-9-18)28-21-14-16-24(17-15-21)23(25)27-4-2/h5-13,21-22H,3-4,14-17H2,1-2H3
InChIKeyJAAZPHKLRUZYJT-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.81
Rot. Bonds7

About ethyl 4-[(4-ethoxyphenyl)-phenylmethoxy]piperidine-1-carboxylate

ethyl 4-[(4-ethoxyphenyl)-phenylmethoxy]piperidine-1-carboxylate (PubChem CID 10385289) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is ethyl 4-[(4-ethoxyphenyl)-phenylmethoxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4-ethoxyphenyl)-phenylmethoxy]piperidine-1-carboxylate
PubChem CID10385289
Molecular FormulaC23H29NO4
Molecular Weight383.49 g/mol
Exact Mass383.21
IUPAC Nameethyl 4-[(4-ethoxyphenyl)-phenylmethoxy]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(OC(c2ccccc2)c2ccc(OCC)cc2)CC1
InChIInChI=1S/C23H29NO4/c1-3-26-20-12-10-19(11-13-20)22(18-8-6-5-7-9-18)28-21-14-16-24(17-15-21)23(25)27-4-2/h5-13,21-22H,3-4,14-17H2,1-2H3
InChIKeyJAAZPHKLRUZYJT-UHFFFAOYSA-N
XLogP4.81
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-ethylphenyl)-phenylmethoxy]piperidine-1-carboxylic acid
CID 67830997
ethyl 4-(4-benzhydryloxypiperidin-1-yl)-3-oxobutanoate
CID 150642644
ethyl 2-(4-benzhydryloxypiperidin-1-yl)propanoate;hydrochloride
CID 70366449
2-[4-[(4-methoxyphenyl)-phenylmethoxy]piperidin-1-yl]acetic acid
CID 19874276
ethyl 6-[4-[(4-methylphenyl)-phenylmethoxy]piperidin-1-yl]hexanoate
CID 19874399
2-[4-[(4-methoxyphenyl)-phenylmethoxy]piperidin-1-yl]ethyl acetate
CID 70366445
ethyl 4-[4-[phenyl-(4-propylphenyl)methoxy]piperidin-1-yl]butanoate
CID 139601780
ethyl 4-[(4-benzhydryloxypiperidin-1-yl)methyl]-2H-pyrrole-5-carboxylate
CID 161206861
ethyl 3-[4-[(3-chlorophenyl)-phenylmethoxy]piperidin-1-yl]propanoate
CID 10069658
ethyl 2-[[4-[(3,5-difluorophenyl)-phenylmethoxy]piperidin-1-yl]methyl]pyridine-4-carboxylate
CID 89474717
ethyl 4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxylate
CID 31542192
3-(4-benzhydryloxypiperidin-1-yl)propan-1-amine;2-methylpropanoic acid
CID 158283333

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-ethoxyphenyl)-phenylmethoxy]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(4-ethoxyphenyl)-phenylmethoxy]piperidine-1-carboxylate (CID 10385289) is ethyl 4-[(4-ethoxyphenyl)-phenylmethoxy]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(4-ethoxyphenyl)-phenylmethoxy]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(4-ethoxyphenyl)-phenylmethoxy]piperidine-1-carboxylate is CCOC(=O)N1CCC(OC(c2ccccc2)c2ccc(OCC)cc2)CC1.
What is the InChIKey of ethyl 4-[(4-ethoxyphenyl)-phenylmethoxy]piperidine-1-carboxylate?
The InChIKey is JAAZPHKLRUZYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO4/c1-3-26-20-12-10-19(11-13-20)22(18-8-6-5-7-9-18)28-21-14-16-24(17-15-21)23(25)27-4-2/h5-13,21-22H,3-4,14-17H2,1-2H3.
What are the key properties of ethyl 4-[(4-ethoxyphenyl)-phenylmethoxy]piperidine-1-carboxylate?
ethyl 4-[(4-ethoxyphenyl)-phenylmethoxy]piperidine-1-carboxylate has a molecular weight of 383.49 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-ethoxyphenyl)-phenylmethoxy]piperidine-1-carboxylate is sourced from PubChem (CID 10385289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).