ethyl (3R)-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-3-carboxylate

C16H30N2O2 — CID 81338983

IUPACethyl (3R)-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(CCC2CCCCN2C)C1
InChIInChI=1S/C16H30N2O2/c1-3-20-16(19)14-7-6-11-18(13-14)12-9-15-8-4-5-10-17(15)2/h14-15H,3-13H2,1-2H3/t14-,15?/m1/s1
InChIKeyBAUSYVXUNKATJR-GICMACPYSA-N
MW282.43 g/mol
LogP2.14
Rot. Bonds5

About ethyl (3R)-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-3-carboxylate

ethyl (3R)-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-3-carboxylate (PubChem CID 81338983) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is ethyl (3R)-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-3-carboxylate
PubChem CID81338983
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Nameethyl (3R)-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(CCC2CCCCN2C)C1
InChIInChI=1S/C16H30N2O2/c1-3-20-16(19)14-7-6-11-18(13-14)12-9-15-8-4-5-10-17(15)2/h14-15H,3-13H2,1-2H3/t14-,15?/m1/s1
InChIKeyBAUSYVXUNKATJR-GICMACPYSA-N
XLogP2.14
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(2-cyclohexylethyl)piperidine-3-carboxylate
CID 113246394
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CID 81361898
ethyl (3S)-1-hexylpiperidine-3-carboxylate
CID 81337885
ethyl 1-dodecylpiperidine-3-carboxylate;hydrochloride
CID 117069127
ethyl (3R)-1-(cyclopropylmethyl)piperidine-3-carboxylate
CID 81338188
ethyl 1-(3-methylbut-3-enyl)piperidine-3-carboxylate
CID 114448848
ethyl 1-(3-hydroxy-3-methylbutyl)piperidine-3-carboxylate
CID 79316103
ethyl (3S)-1-(2,2-difluoroethyl)piperidine-3-carboxylate
CID 28869444
ethyl (3R)-1-[3-(dimethylamino)propyl]piperidine-3-carboxylate
CID 103785632
ethyl (3R)-1-[4-(dimethylamino)-4-oxobutyl]piperidine-3-carboxylate
CID 115538067
ethyl (3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-3-carboxylate
CID 103785584

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-3-carboxylate (CID 81338983) is ethyl (3R)-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCN(CCC2CCCCN2C)C1.
What is the InChIKey of ethyl (3R)-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-3-carboxylate?
The InChIKey is BAUSYVXUNKATJR-GICMACPYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-3-20-16(19)14-7-6-11-18(13-14)12-9-15-8-4-5-10-17(15)2/h14-15H,3-13H2,1-2H3/t14-,15?/m1/s1.
What are the key properties of ethyl (3R)-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-3-carboxylate?
ethyl (3R)-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-3-carboxylate has a molecular weight of 282.43 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-3-carboxylate is sourced from PubChem (CID 81338983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).