methyl 1-(2-benzhydryloxyethyl)piperidine-4-carboxylate

C22H27NO3 — CID 86913313

IUPACmethyl 1-(2-benzhydryloxyethyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CCOC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H27NO3/c1-25-22(24)20-12-14-23(15-13-20)16-17-26-21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,20-21H,12-17H2,1H3
InChIKeyCSIVISVLNORHDS-UHFFFAOYSA-N
MW353.46 g/mol
LogP3.68
Rot. Bonds7

About methyl 1-(2-benzhydryloxyethyl)piperidine-4-carboxylate

methyl 1-(2-benzhydryloxyethyl)piperidine-4-carboxylate (PubChem CID 86913313) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is methyl 1-(2-benzhydryloxyethyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-benzhydryloxyethyl)piperidine-4-carboxylate
PubChem CID86913313
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Namemethyl 1-(2-benzhydryloxyethyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CCOC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H27NO3/c1-25-22(24)20-12-14-23(15-13-20)16-17-26-21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,20-21H,12-17H2,1H3
InChIKeyCSIVISVLNORHDS-UHFFFAOYSA-N
XLogP3.68
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(2-hydroxy-2-phenylethyl)piperidine-4-carboxylate
CID 60632376
1-[1-(2-benzhydryloxyethyl)piperidin-4-yl]ethanol
CID 111114119
1-(2-benzhydryloxyethyl)-4-benzylpiperidine
CID 127026610
methyl 1-(4-phenylbutyl)piperidine-4-carboxylate
CID 114334475
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidine-4-carboxylic acid
CID 139851809
3-[4-[2-[(2-methoxyphenyl)-phenylmethoxy]ethyl]piperazin-1-yl]propanoic acid
CID 3046252
1-(2-benzhydryloxyethyl)azetidine
CID 23275348
(2S)-1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propan-2-ol
CID 10338239
methyl 1-(2-naphthalen-2-yloxyethyl)piperidine-4-carboxylate
CID 10380866
3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propanamide;hydrate;hydrochloride
CID 21152175
1-(2-benzhydryloxyethyl)piperidin-4-one
CID 10614853
methyl 1-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl]piperidine-4-carboxylate
CID 8754473

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-benzhydryloxyethyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(2-benzhydryloxyethyl)piperidine-4-carboxylate (CID 86913313) is methyl 1-(2-benzhydryloxyethyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(2-benzhydryloxyethyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(2-benzhydryloxyethyl)piperidine-4-carboxylate is COC(=O)C1CCN(CCOC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of methyl 1-(2-benzhydryloxyethyl)piperidine-4-carboxylate?
The InChIKey is CSIVISVLNORHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-25-22(24)20-12-14-23(15-13-20)16-17-26-21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,20-21H,12-17H2,1H3.
What are the key properties of methyl 1-(2-benzhydryloxyethyl)piperidine-4-carboxylate?
methyl 1-(2-benzhydryloxyethyl)piperidine-4-carboxylate has a molecular weight of 353.46 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-benzhydryloxyethyl)piperidine-4-carboxylate is sourced from PubChem (CID 86913313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).