ethyl 1-(cyclopropylmethyl)-3-(4-hydroxyphenyl)piperidine-3-carboxylate

C18H25NO3 — CID 12687008

IUPACethyl 1-(cyclopropylmethyl)-3-(4-hydroxyphenyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1(c2ccc(O)cc2)CCCN(CC2CC2)C1
InChIInChI=1S/C18H25NO3/c1-2-22-17(21)18(15-6-8-16(20)9-7-15)10-3-11-19(13-18)12-14-4-5-14/h6-9,14,20H,2-5,10-13H2,1H3
InChIKeyOUQNDBRUYCFAMM-UHFFFAOYSA-N
MW303.40 g/mol
LogP2.70
Rot. Bonds5

About ethyl 1-(cyclopropylmethyl)-3-(4-hydroxyphenyl)piperidine-3-carboxylate

ethyl 1-(cyclopropylmethyl)-3-(4-hydroxyphenyl)piperidine-3-carboxylate (PubChem CID 12687008) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is ethyl 1-(cyclopropylmethyl)-3-(4-hydroxyphenyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(cyclopropylmethyl)-3-(4-hydroxyphenyl)piperidine-3-carboxylate
PubChem CID12687008
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Nameethyl 1-(cyclopropylmethyl)-3-(4-hydroxyphenyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1(c2ccc(O)cc2)CCCN(CC2CC2)C1
InChIInChI=1S/C18H25NO3/c1-2-22-17(21)18(15-6-8-16(20)9-7-15)10-3-11-19(13-18)12-14-4-5-14/h6-9,14,20H,2-5,10-13H2,1H3
InChIKeyOUQNDBRUYCFAMM-UHFFFAOYSA-N
XLogP2.70
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(cyclopropylmethyl)-3-(4-hydroxyphenyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(cyclopropylmethyl)-3-(4-hydroxyphenyl)piperidine-3-carboxylate (CID 12687008) is ethyl 1-(cyclopropylmethyl)-3-(4-hydroxyphenyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(cyclopropylmethyl)-3-(4-hydroxyphenyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(cyclopropylmethyl)-3-(4-hydroxyphenyl)piperidine-3-carboxylate is CCOC(=O)C1(c2ccc(O)cc2)CCCN(CC2CC2)C1.
What is the InChIKey of ethyl 1-(cyclopropylmethyl)-3-(4-hydroxyphenyl)piperidine-3-carboxylate?
The InChIKey is OUQNDBRUYCFAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-2-22-17(21)18(15-6-8-16(20)9-7-15)10-3-11-19(13-18)12-14-4-5-14/h6-9,14,20H,2-5,10-13H2,1H3.
What are the key properties of ethyl 1-(cyclopropylmethyl)-3-(4-hydroxyphenyl)piperidine-3-carboxylate?
ethyl 1-(cyclopropylmethyl)-3-(4-hydroxyphenyl)piperidine-3-carboxylate has a molecular weight of 303.40 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(cyclopropylmethyl)-3-(4-hydroxyphenyl)piperidine-3-carboxylate is sourced from PubChem (CID 12687008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).