benzyl 4-[2-(oxan-2-yloxy)ethoxy]piperidine-1-carboxylate

C20H29NO5 — CID 58495700

IUPACbenzyl 4-[2-(oxan-2-yloxy)ethoxy]piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(OCCOC2CCCCO2)CC1
InChIInChI=1S/C20H29NO5/c22-20(26-16-17-6-2-1-3-7-17)21-11-9-18(10-12-21)23-14-15-25-19-8-4-5-13-24-19/h1-3,6-7,18-19H,4-5,8-16H2
InChIKeyOURFLQZATHOJAG-UHFFFAOYSA-N
MW363.45 g/mol
LogP3.35
Rot. Bonds7

About benzyl 4-[2-(oxan-2-yloxy)ethoxy]piperidine-1-carboxylate

benzyl 4-[2-(oxan-2-yloxy)ethoxy]piperidine-1-carboxylate (PubChem CID 58495700) has the molecular formula C20H29NO5 and a molecular weight of 363.45 g/mol. Its IUPAC name is benzyl 4-[2-(oxan-2-yloxy)ethoxy]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[2-(oxan-2-yloxy)ethoxy]piperidine-1-carboxylate
PubChem CID58495700
Molecular FormulaC20H29NO5
Molecular Weight363.45 g/mol
Exact Mass363.20
IUPAC Namebenzyl 4-[2-(oxan-2-yloxy)ethoxy]piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(OCCOC2CCCCO2)CC1
InChIInChI=1S/C20H29NO5/c22-20(26-16-17-6-2-1-3-7-17)21-11-9-18(10-12-21)23-14-15-25-19-8-4-5-13-24-19/h1-3,6-7,18-19H,4-5,8-16H2
InChIKeyOURFLQZATHOJAG-UHFFFAOYSA-N
XLogP3.35
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze benzyl 4-[2-(oxan-2-yloxy)ethoxy]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-O-benzyl 1-O-[2-(oxan-4-yloxy)ethyl] piperazine-1,4-dicarboxylate
CID 58495785
benzyl 4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]piperidine-1-carboxylate
CID 68919124
benzyl (2S,4S)-2-(4-methoxycarbonylphenyl)-4-[2-(oxan-2-yloxy)ethoxy]piperidine-1-carboxylate
CID 164586218
benzyl 4-[(1-hydroxycyclopropyl)methoxy]piperidine-1-carboxylate
CID 129278212
tert-butyl 4-[3-(1-phenylmethoxycarbonylpiperidin-4-yl)oxypropyl]piperidine-1-carboxylate
CID 166066118
benzyl (2S)-2-amino-4-(oxan-2-yloxy)butanoate
CID 70956918
2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]oxane
CID 165126969
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane
CID 162640826
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
4-[3-(1-phenylmethoxycarbonylpiperidin-4-yl)oxypropyl]piperazine-1-carboxylic acid
CID 174208820
benzyl 4-(oxolane-2-carbonyl)piperazine-1-carboxylate
CID 85064014
benzyl 3-(2-pyrrolidin-1-ylethoxy)pyrrolidine-1-carboxylate
CID 67294156

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[2-(oxan-2-yloxy)ethoxy]piperidine-1-carboxylate?
The IUPAC name of benzyl 4-[2-(oxan-2-yloxy)ethoxy]piperidine-1-carboxylate (CID 58495700) is benzyl 4-[2-(oxan-2-yloxy)ethoxy]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-[2-(oxan-2-yloxy)ethoxy]piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-[2-(oxan-2-yloxy)ethoxy]piperidine-1-carboxylate is O=C(OCc1ccccc1)N1CCC(OCCOC2CCCCO2)CC1.
What is the InChIKey of benzyl 4-[2-(oxan-2-yloxy)ethoxy]piperidine-1-carboxylate?
The InChIKey is OURFLQZATHOJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO5/c22-20(26-16-17-6-2-1-3-7-17)21-11-9-18(10-12-21)23-14-15-25-19-8-4-5-13-24-19/h1-3,6-7,18-19H,4-5,8-16H2.
What are the key properties of benzyl 4-[2-(oxan-2-yloxy)ethoxy]piperidine-1-carboxylate?
benzyl 4-[2-(oxan-2-yloxy)ethoxy]piperidine-1-carboxylate has a molecular weight of 363.45 g/mol, XLogP of 3.35, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[2-(oxan-2-yloxy)ethoxy]piperidine-1-carboxylate is sourced from PubChem (CID 58495700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).