2-propan-2-yloxyethyl 1-benzylpiperidine-2-carboxylate

C18H27NO3 — CID 75373371

IUPAC2-propan-2-yloxyethyl 1-benzylpiperidine-2-carboxylate
SMILESCC(C)OCCOC(=O)C1CCCCN1Cc1ccccc1
InChIInChI=1S/C18H27NO3/c1-15(2)21-12-13-22-18(20)17-10-6-7-11-19(17)14-16-8-4-3-5-9-16/h3-5,8-9,15,17H,6-7,10-14H2,1-2H3
InChIKeyLKEFULSCAPNEOC-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.01
Rot. Bonds7

About 2-propan-2-yloxyethyl 1-benzylpiperidine-2-carboxylate

2-propan-2-yloxyethyl 1-benzylpiperidine-2-carboxylate (PubChem CID 75373371) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-propan-2-yloxyethyl 1-benzylpiperidine-2-carboxylate.

Molecular Properties

Compound Name2-propan-2-yloxyethyl 1-benzylpiperidine-2-carboxylate
PubChem CID75373371
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name2-propan-2-yloxyethyl 1-benzylpiperidine-2-carboxylate
SMILESCC(C)OCCOC(=O)C1CCCCN1Cc1ccccc1
InChIInChI=1S/C18H27NO3/c1-15(2)21-12-13-22-18(20)17-10-6-7-11-19(17)14-16-8-4-3-5-9-16/h3-5,8-9,15,17H,6-7,10-14H2,1-2H3
InChIKeyLKEFULSCAPNEOC-UHFFFAOYSA-N
XLogP3.01
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxyethyl (2S)-1-benzylpiperidine-2-carboxylate
CID 97216470
methyl 1-benzylpiperidine-2-carboxylate
CID 10443988
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
[4-(1-aminoethyl)piperidin-1-yl]-(1-benzylpiperidin-2-yl)methanone
CID 119519896
(4-methoxyphenyl)methyl (2R)-1-benzylpyrrolidine-2-carboxylate
CID 97063553
[4-(1-aminoethyl)piperidin-1-yl]-(1-benzylpiperidin-2-yl)methanone;dihydrochloride
CID 119519895
ethyl 1-[(3-phenoxyphenyl)methyl]piperidine-2-carboxylate
CID 2838010
ethyl 1-[(4-chlorophenyl)methyl]piperidine-2-carboxylate
CID 2838557
ethyl (2R)-1-[(3-methylphenyl)methyl]piperidine-2-carboxylate
CID 791469
ethyl 1-[(3-methylphenyl)methyl]piperidine-2-carboxylate
CID 2837990
methyl (2S)-1-benzylazetidine-2-carboxylate
CID 12727480
methyl (2R)-1-benzylazetidine-2-carboxylate
CID 10976617

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxyethyl 1-benzylpiperidine-2-carboxylate?
The IUPAC name of 2-propan-2-yloxyethyl 1-benzylpiperidine-2-carboxylate (CID 75373371) is 2-propan-2-yloxyethyl 1-benzylpiperidine-2-carboxylate.
What is the SMILES notation for 2-propan-2-yloxyethyl 1-benzylpiperidine-2-carboxylate?
The canonical SMILES for 2-propan-2-yloxyethyl 1-benzylpiperidine-2-carboxylate is CC(C)OCCOC(=O)C1CCCCN1Cc1ccccc1.
What is the InChIKey of 2-propan-2-yloxyethyl 1-benzylpiperidine-2-carboxylate?
The InChIKey is LKEFULSCAPNEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-15(2)21-12-13-22-18(20)17-10-6-7-11-19(17)14-16-8-4-3-5-9-16/h3-5,8-9,15,17H,6-7,10-14H2,1-2H3.
What are the key properties of 2-propan-2-yloxyethyl 1-benzylpiperidine-2-carboxylate?
2-propan-2-yloxyethyl 1-benzylpiperidine-2-carboxylate has a molecular weight of 305.42 g/mol, XLogP of 3.01, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxyethyl 1-benzylpiperidine-2-carboxylate is sourced from PubChem (CID 75373371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).