ethyl 1-(cyclopropylmethyl)-4-(2-phenoxyethyl)piperidine-4-carboxylate

C20H29NO3 — CID 23723453

IUPACethyl 1-(cyclopropylmethyl)-4-(2-phenoxyethyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1(CCOc2ccccc2)CCN(CC2CC2)CC1
InChIInChI=1S/C20H29NO3/c1-2-23-19(22)20(12-15-24-18-6-4-3-5-7-18)10-13-21(14-11-20)16-17-8-9-17/h3-7,17H,2,8-16H2,1H3
InChIKeyQJEGUNSLMQMXRN-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.51
Rot. Bonds8

About ethyl 1-(cyclopropylmethyl)-4-(2-phenoxyethyl)piperidine-4-carboxylate

ethyl 1-(cyclopropylmethyl)-4-(2-phenoxyethyl)piperidine-4-carboxylate (PubChem CID 23723453) has the molecular formula C20H29NO3 and a molecular weight of 331.46 g/mol. Its IUPAC name is ethyl 1-(cyclopropylmethyl)-4-(2-phenoxyethyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(cyclopropylmethyl)-4-(2-phenoxyethyl)piperidine-4-carboxylate
PubChem CID23723453
Molecular FormulaC20H29NO3
Molecular Weight331.46 g/mol
Exact Mass331.21
IUPAC Nameethyl 1-(cyclopropylmethyl)-4-(2-phenoxyethyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1(CCOc2ccccc2)CCN(CC2CC2)CC1
InChIInChI=1S/C20H29NO3/c1-2-23-19(22)20(12-15-24-18-6-4-3-5-7-18)10-13-21(14-11-20)16-17-8-9-17/h3-7,17H,2,8-16H2,1H3
InChIKeyQJEGUNSLMQMXRN-UHFFFAOYSA-N
XLogP3.51
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(cyclopropylmethyl)-4-(2-phenoxyethyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(cyclopropylmethyl)-4-(2-phenoxyethyl)piperidine-4-carboxylate (CID 23723453) is ethyl 1-(cyclopropylmethyl)-4-(2-phenoxyethyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(cyclopropylmethyl)-4-(2-phenoxyethyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(cyclopropylmethyl)-4-(2-phenoxyethyl)piperidine-4-carboxylate is CCOC(=O)C1(CCOc2ccccc2)CCN(CC2CC2)CC1.
What is the InChIKey of ethyl 1-(cyclopropylmethyl)-4-(2-phenoxyethyl)piperidine-4-carboxylate?
The InChIKey is QJEGUNSLMQMXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO3/c1-2-23-19(22)20(12-15-24-18-6-4-3-5-7-18)10-13-21(14-11-20)16-17-8-9-17/h3-7,17H,2,8-16H2,1H3.
What are the key properties of ethyl 1-(cyclopropylmethyl)-4-(2-phenoxyethyl)piperidine-4-carboxylate?
ethyl 1-(cyclopropylmethyl)-4-(2-phenoxyethyl)piperidine-4-carboxylate has a molecular weight of 331.46 g/mol, XLogP of 3.51, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(cyclopropylmethyl)-4-(2-phenoxyethyl)piperidine-4-carboxylate is sourced from PubChem (CID 23723453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).