ethyl 1-(1-benzylpiperidin-4-yl)piperidine-2-carboxylate

C20H30N2O2 — CID 2846487

IUPACethyl 1-(1-benzylpiperidin-4-yl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H30N2O2/c1-2-24-20(23)19-10-6-7-13-22(19)18-11-14-21(15-12-18)16-17-8-4-3-5-9-17/h3-5,8-9,18-19H,2,6-7,10-16H2,1H3
InChIKeyLCIYMEUAPNBEJH-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.07
Rot. Bonds5

About ethyl 1-(1-benzylpiperidin-4-yl)piperidine-2-carboxylate

ethyl 1-(1-benzylpiperidin-4-yl)piperidine-2-carboxylate (PubChem CID 2846487) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is ethyl 1-(1-benzylpiperidin-4-yl)piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1-benzylpiperidin-4-yl)piperidine-2-carboxylate
PubChem CID2846487
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Nameethyl 1-(1-benzylpiperidin-4-yl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H30N2O2/c1-2-24-20(23)19-10-6-7-13-22(19)18-11-14-21(15-12-18)16-17-8-4-3-5-9-17/h3-5,8-9,18-19H,2,6-7,10-16H2,1H3
InChIKeyLCIYMEUAPNBEJH-UHFFFAOYSA-N
XLogP3.07
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2R)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidine-2-carboxylate
CID 122138928
ethyl (2R)-1-(4-phenylcyclohexyl)piperidine-2-carboxylate
CID 784294
ethyl 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-4-carboxylate
CID 68891069
1-benzyl-4-[(2R)-2-methylpiperidin-1-yl]piperidine
CID 30983085
ethyl (5S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-5-carboxylate
CID 10965477
ethyl 1-benzylpyrrolidine-3-carboxylate;formonitrile
CID 143159635
ethyl 1-(phenylmethoxyamino)piperidine-2-carboxylate
CID 171060032
methyl (2S,4R)-4-amino-1-(1-benzylpiperidin-4-yl)pyrrolidine-2-carboxylate
CID 141357307
ethyl 2-(1-benzylpiperidin-4-yl)sulfanylacetate
CID 11277813
ethyl 5-benzyl-5-azaspiro[2.5]octane-8-carboxylate
CID 135289880
diethyl (2R,4S)-1-benzylazetidine-2,4-dicarboxylate
CID 102218591
ethyl 1-benzyl-4-hydroxypiperidine-3-carboxylate;hydrochloride
CID 165176370

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(1-benzylpiperidin-4-yl)piperidine-2-carboxylate?
The IUPAC name of ethyl 1-(1-benzylpiperidin-4-yl)piperidine-2-carboxylate (CID 2846487) is ethyl 1-(1-benzylpiperidin-4-yl)piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(1-benzylpiperidin-4-yl)piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-(1-benzylpiperidin-4-yl)piperidine-2-carboxylate is CCOC(=O)C1CCCCN1C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of ethyl 1-(1-benzylpiperidin-4-yl)piperidine-2-carboxylate?
The InChIKey is LCIYMEUAPNBEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-2-24-20(23)19-10-6-7-13-22(19)18-11-14-21(15-12-18)16-17-8-4-3-5-9-17/h3-5,8-9,18-19H,2,6-7,10-16H2,1H3.
What are the key properties of ethyl 1-(1-benzylpiperidin-4-yl)piperidine-2-carboxylate?
ethyl 1-(1-benzylpiperidin-4-yl)piperidine-2-carboxylate has a molecular weight of 330.47 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(1-benzylpiperidin-4-yl)piperidine-2-carboxylate is sourced from PubChem (CID 2846487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).