(1-butyl-4-pyridin-2-ylpiperidin-4-yl) propanoate

C17H26N2O2 — CID 3048605

IUPAC(1-butyl-4-pyridin-2-ylpiperidin-4-yl) propanoate
SMILESCCCCN1CCC(OC(=O)CC)(c2ccccn2)CC1
InChIInChI=1S/C17H26N2O2/c1-3-5-12-19-13-9-17(10-14-19,21-16(20)4-2)15-8-6-7-11-18-15/h6-8,11H,3-5,9-10,12-14H2,1-2H3
InChIKeyBJIMKYXIKIYOLU-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.13
Rot. Bonds6

About (1-butyl-4-pyridin-2-ylpiperidin-4-yl) propanoate

(1-butyl-4-pyridin-2-ylpiperidin-4-yl) propanoate (PubChem CID 3048605) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (1-butyl-4-pyridin-2-ylpiperidin-4-yl) propanoate.

Molecular Properties

Compound Name(1-butyl-4-pyridin-2-ylpiperidin-4-yl) propanoate
PubChem CID3048605
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(1-butyl-4-pyridin-2-ylpiperidin-4-yl) propanoate
SMILESCCCCN1CCC(OC(=O)CC)(c2ccccn2)CC1
InChIInChI=1S/C17H26N2O2/c1-3-5-12-19-13-9-17(10-14-19,21-16(20)4-2)15-8-6-7-11-18-15/h6-8,11H,3-5,9-10,12-14H2,1-2H3
InChIKeyBJIMKYXIKIYOLU-UHFFFAOYSA-N
XLogP3.13
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-butyl-4-pyridin-3-ylpiperidin-4-yl) propanoate
CID 3048607
[1-(4-phenoxybutyl)-4-phenylpiperidin-4-yl] propanoate
CID 3075799
[1-[(3E)-3-hydroxyimino-3-phenylpropyl]-4-phenylpiperidin-4-yl] propanoate
CID 18656723
[1-[2-[2-(methylcarbamoyl)anilino]ethyl]-4-phenylpiperidin-4-yl] propanoate
CID 3050172
1-butyl-N-(pyridin-2-ylmethyl)piperidin-4-amine
CID 43748322
(1-methyl-4-phenyl-2-propylpiperidin-4-yl) propanoate;hydrochloride
CID 24843033
1-butyl-4-methylpiperazine;ethane;2-methylpyridine
CID 144514964
4-ethyl-1-(2-pyridin-2-ylethyl)piperidine-4-carboxylic acid
CID 55179316
1-hexyl-4-phenylpiperidine-4-carboxylic acid;hydrochloride
CID 67764311
1-butyl-3-phenylpyrrolidin-3-ol
CID 154183596
4-methyl-1-(2-pyridin-2-ylethyl)piperidin-4-ol
CID 80702351
butyl 4-cyano-4-pyridin-2-ylpiperidine-1-carboxylate
CID 23194322

Frequently Asked Questions

What is the IUPAC name of (1-butyl-4-pyridin-2-ylpiperidin-4-yl) propanoate?
The IUPAC name of (1-butyl-4-pyridin-2-ylpiperidin-4-yl) propanoate (CID 3048605) is (1-butyl-4-pyridin-2-ylpiperidin-4-yl) propanoate.
What is the SMILES notation for (1-butyl-4-pyridin-2-ylpiperidin-4-yl) propanoate?
The canonical SMILES for (1-butyl-4-pyridin-2-ylpiperidin-4-yl) propanoate is CCCCN1CCC(OC(=O)CC)(c2ccccn2)CC1.
What is the InChIKey of (1-butyl-4-pyridin-2-ylpiperidin-4-yl) propanoate?
The InChIKey is BJIMKYXIKIYOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-5-12-19-13-9-17(10-14-19,21-16(20)4-2)15-8-6-7-11-18-15/h6-8,11H,3-5,9-10,12-14H2,1-2H3.
What are the key properties of (1-butyl-4-pyridin-2-ylpiperidin-4-yl) propanoate?
(1-butyl-4-pyridin-2-ylpiperidin-4-yl) propanoate has a molecular weight of 290.41 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butyl-4-pyridin-2-ylpiperidin-4-yl) propanoate is sourced from PubChem (CID 3048605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).