ethyl 4-[4-(hydroxymethyl)-4-[[(2R)-oxan-2-yl]methyl]piperidin-1-yl]piperidine-1-carboxylate

C20H36N2O4 — CID 26315201

IUPACethyl 4-[4-(hydroxymethyl)-4-[[(2R)-oxan-2-yl]methyl]piperidin-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCC(CO)(C[C@H]3CCCCO3)CC2)CC1
InChIInChI=1S/C20H36N2O4/c1-2-25-19(24)22-10-6-17(7-11-22)21-12-8-20(16-23,9-13-21)15-18-5-3-4-14-26-18/h17-18,23H,2-16H2,1H3/t18-/m1/s1
InChIKeyOKBNLNAPQUMRNH-GOSISDBHSA-N
MW368.52 g/mol
LogP2.64
Rot. Bonds5

About ethyl 4-[4-(hydroxymethyl)-4-[[(2R)-oxan-2-yl]methyl]piperidin-1-yl]piperidine-1-carboxylate

ethyl 4-[4-(hydroxymethyl)-4-[[(2R)-oxan-2-yl]methyl]piperidin-1-yl]piperidine-1-carboxylate (PubChem CID 26315201) has the molecular formula C20H36N2O4 and a molecular weight of 368.52 g/mol. Its IUPAC name is ethyl 4-[4-(hydroxymethyl)-4-[[(2R)-oxan-2-yl]methyl]piperidin-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-(hydroxymethyl)-4-[[(2R)-oxan-2-yl]methyl]piperidin-1-yl]piperidine-1-carboxylate
PubChem CID26315201
Molecular FormulaC20H36N2O4
Molecular Weight368.52 g/mol
Exact Mass368.27
IUPAC Nameethyl 4-[4-(hydroxymethyl)-4-[[(2R)-oxan-2-yl]methyl]piperidin-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCC(CO)(C[C@H]3CCCCO3)CC2)CC1
InChIInChI=1S/C20H36N2O4/c1-2-25-19(24)22-10-6-17(7-11-22)21-12-8-20(16-23,9-13-21)15-18-5-3-4-14-26-18/h17-18,23H,2-16H2,1H3/t18-/m1/s1
InChIKeyOKBNLNAPQUMRNH-GOSISDBHSA-N
XLogP2.64
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[4-(hydroxymethyl)-4-[[(2R)-oxan-2-yl]methyl]piperidin-1-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

ethyl 4-[4-[3-oxo-3-(oxolan-2-ylmethylamino)propyl]piperidin-1-yl]piperidine-1-carboxylate
CID 45214419
ethyl 4-[2-(oxan-2-yl)ethylamino]piperidine-1-carboxylate
CID 103993007
ethyl 4-piperidin-1-ylazepane-1-carboxylate
CID 123362818
ethyl 4-[4-(3,3-difluoropyrrolidin-1-yl)piperidin-1-yl]azepane-1-carboxylate
CID 123970015
2-[4-(hydroxymethyl)-4-(oxan-2-ylmethyl)piperidin-1-yl]-6-methylpyridine-3-carboxylic acid
CID 56748458
6-[4-(hydroxymethyl)-4-[[(2R)-oxan-2-yl]methyl]piperidin-1-yl]pyrazine-2-carboxamide
CID 95549432
ethyl 2-(oxepan-2-yl)acetate
CID 14174537
ethyl 4-[[N'-[2-(oxan-2-yl)ethyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 110018674
ethyl 4-[4-(cyclopropanecarbonyl)piperazin-1-yl]piperidine-1-carboxylate
CID 113074649
N-(4-fluorophenyl)-4-(hydroxymethyl)-4-(oxan-2-ylmethyl)piperidine-1-carboxamide
CID 45205523
ethyl 4-[4-(cyclohexylcarbamoyl)piperazin-1-yl]piperidine-1-carboxylate
CID 113074692
ethyl 3-(9-oxa-2-azaspiro[5.5]undecan-2-yl)pyrrolidine-1-carboxylate
CID 131936680

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(hydroxymethyl)-4-[[(2R)-oxan-2-yl]methyl]piperidin-1-yl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[4-(hydroxymethyl)-4-[[(2R)-oxan-2-yl]methyl]piperidin-1-yl]piperidine-1-carboxylate (CID 26315201) is ethyl 4-[4-(hydroxymethyl)-4-[[(2R)-oxan-2-yl]methyl]piperidin-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[4-(hydroxymethyl)-4-[[(2R)-oxan-2-yl]methyl]piperidin-1-yl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[4-(hydroxymethyl)-4-[[(2R)-oxan-2-yl]methyl]piperidin-1-yl]piperidine-1-carboxylate is CCOC(=O)N1CCC(N2CCC(CO)(C[C@H]3CCCCO3)CC2)CC1.
What is the InChIKey of ethyl 4-[4-(hydroxymethyl)-4-[[(2R)-oxan-2-yl]methyl]piperidin-1-yl]piperidine-1-carboxylate?
The InChIKey is OKBNLNAPQUMRNH-GOSISDBHSA-N. The full InChI is InChI=1S/C20H36N2O4/c1-2-25-19(24)22-10-6-17(7-11-22)21-12-8-20(16-23,9-13-21)15-18-5-3-4-14-26-18/h17-18,23H,2-16H2,1H3/t18-/m1/s1.
What are the key properties of ethyl 4-[4-(hydroxymethyl)-4-[[(2R)-oxan-2-yl]methyl]piperidin-1-yl]piperidine-1-carboxylate?
ethyl 4-[4-(hydroxymethyl)-4-[[(2R)-oxan-2-yl]methyl]piperidin-1-yl]piperidine-1-carboxylate has a molecular weight of 368.52 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(hydroxymethyl)-4-[[(2R)-oxan-2-yl]methyl]piperidin-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 26315201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).