methyl (3S)-1-(2-pyridin-4-ylethyl)piperidine-3-carboxylate

C14H20N2O2 — CID 79038488

IUPACmethyl (3S)-1-(2-pyridin-4-ylethyl)piperidine-3-carboxylate
SMILESCOC(=O)[C@H]1CCCN(CCc2ccncc2)C1
InChIInChI=1S/C14H20N2O2/c1-18-14(17)13-3-2-9-16(11-13)10-6-12-4-7-15-8-5-12/h4-5,7-8,13H,2-3,6,9-11H2,1H3/t13-/m0/s1
InChIKeyOSXXAZLGRZVYHO-ZDUSSCGKSA-N
MW248.33 g/mol
LogP1.51
Rot. Bonds4

About methyl (3S)-1-(2-pyridin-4-ylethyl)piperidine-3-carboxylate

methyl (3S)-1-(2-pyridin-4-ylethyl)piperidine-3-carboxylate (PubChem CID 79038488) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is methyl (3S)-1-(2-pyridin-4-ylethyl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3S)-1-(2-pyridin-4-ylethyl)piperidine-3-carboxylate
PubChem CID79038488
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Namemethyl (3S)-1-(2-pyridin-4-ylethyl)piperidine-3-carboxylate
SMILESCOC(=O)[C@H]1CCCN(CCc2ccncc2)C1
InChIInChI=1S/C14H20N2O2/c1-18-14(17)13-3-2-9-16(11-13)10-6-12-4-7-15-8-5-12/h4-5,7-8,13H,2-3,6,9-11H2,1H3/t13-/m0/s1
InChIKeyOSXXAZLGRZVYHO-ZDUSSCGKSA-N
XLogP1.51
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-1-(2-pyridin-4-ylethyl)piperidine-3-carboxamide
CID 51081872
methyl 1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine-3-carboxylate
CID 103014006
methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-3-carboxylate
CID 141241691
ethyl (3S)-1-(2-phenylethyl)piperidine-3-carboxylate
CID 783175
morpholin-4-yl-[(3S)-1-(3-pyridin-4-ylpropyl)piperidin-3-yl]methanone
CID 97352804
methyl 1-(4-aminobutyl)piperidine-3-carboxylate
CID 115533732
methyl 1-(3-aminopropyl)piperidine-3-carboxylate
CID 115533707
methyl 1-(2-methoxyethyl)piperidine-3-carboxylate
CID 78920456
(3S)-1-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxylic acid
CID 93048464
methyl 1-(5-aminopentyl)piperidine-3-carboxylate
CID 115533740
ethyl 1-(3-phenylpropyl)piperidine-3-carboxylate;hydrochloride
CID 6603291
N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide
CID 25460236

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-1-(2-pyridin-4-ylethyl)piperidine-3-carboxylate?
The IUPAC name of methyl (3S)-1-(2-pyridin-4-ylethyl)piperidine-3-carboxylate (CID 79038488) is methyl (3S)-1-(2-pyridin-4-ylethyl)piperidine-3-carboxylate.
What is the SMILES notation for methyl (3S)-1-(2-pyridin-4-ylethyl)piperidine-3-carboxylate?
The canonical SMILES for methyl (3S)-1-(2-pyridin-4-ylethyl)piperidine-3-carboxylate is COC(=O)[C@H]1CCCN(CCc2ccncc2)C1.
What is the InChIKey of methyl (3S)-1-(2-pyridin-4-ylethyl)piperidine-3-carboxylate?
The InChIKey is OSXXAZLGRZVYHO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-18-14(17)13-3-2-9-16(11-13)10-6-12-4-7-15-8-5-12/h4-5,7-8,13H,2-3,6,9-11H2,1H3/t13-/m0/s1.
What are the key properties of methyl (3S)-1-(2-pyridin-4-ylethyl)piperidine-3-carboxylate?
methyl (3S)-1-(2-pyridin-4-ylethyl)piperidine-3-carboxylate has a molecular weight of 248.33 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-1-(2-pyridin-4-ylethyl)piperidine-3-carboxylate is sourced from PubChem (CID 79038488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).