3-[(1S)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]pyridine

C15H20N4 — CID 129370378

IUPAC3-[(1S)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]pyridine
SMILESC[C@@H](c1cccnc1)N1CCC[C@H](c2ccn[nH]2)C1
InChIInChI=1S/C15H20N4/c1-12(13-4-2-7-16-10-13)19-9-3-5-14(11-19)15-6-8-17-18-15/h2,4,6-8,10,12,14H,3,5,9,11H2,1H3,(H,17,18)/t12-,14-/m0/s1
InChIKeyUXUSCXCCMLCGJF-JSGCOSHPSA-N
MW256.35 g/mol
LogP2.75
Rot. Bonds3

About 3-[(1S)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]pyridine

3-[(1S)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]pyridine (PubChem CID 129370378) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-[(1S)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]pyridine.

Molecular Properties

Compound Name3-[(1S)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]pyridine
PubChem CID129370378
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name3-[(1S)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]pyridine
SMILESC[C@@H](c1cccnc1)N1CCC[C@H](c2ccn[nH]2)C1
InChIInChI=1S/C15H20N4/c1-12(13-4-2-7-16-10-13)19-9-3-5-14(11-19)15-6-8-17-18-15/h2,4,6-8,10,12,14H,3,5,9,11H2,1H3,(H,17,18)/t12-,14-/m0/s1
InChIKeyUXUSCXCCMLCGJF-JSGCOSHPSA-N
XLogP2.75
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-5-[(1R)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95777047
2-(1-pyridin-3-ylethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79673428
6-(1-pyridin-3-ylethyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678299
(5S)-3,5-dimethyl-5-[(3S)-1-[(1R)-1-pyridin-3-ylethyl]piperidin-3-yl]imidazolidine-2,4-dione
CID 98791548
(5R)-3,5-dimethyl-5-[(3S)-1-[(1R)-1-pyridin-3-ylethyl]piperidin-3-yl]imidazolidine-2,4-dione
CID 97089215
1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 125012670
3-[(1R)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]pyridine
CID 95276591
(3S)-1-tert-butyl-3-(1H-pyrazol-5-yl)piperidine
CID 176612652
(2R)-N-(2-propan-2-ylpyrazol-3-yl)-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide
CID 100836726
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 62867071
2-methyl-3-oxo-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propanoic acid
CID 114897652
3-[1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethyl]pyridine
CID 62274891

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]pyridine?
The IUPAC name of 3-[(1S)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]pyridine (CID 129370378) is 3-[(1S)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]pyridine.
What is the SMILES notation for 3-[(1S)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]pyridine?
The canonical SMILES for 3-[(1S)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]pyridine is C[C@@H](c1cccnc1)N1CCC[C@H](c2ccn[nH]2)C1.
What is the InChIKey of 3-[(1S)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]pyridine?
The InChIKey is UXUSCXCCMLCGJF-JSGCOSHPSA-N. The full InChI is InChI=1S/C15H20N4/c1-12(13-4-2-7-16-10-13)19-9-3-5-14(11-19)15-6-8-17-18-15/h2,4,6-8,10,12,14H,3,5,9,11H2,1H3,(H,17,18)/t12-,14-/m0/s1.
What are the key properties of 3-[(1S)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]pyridine?
3-[(1S)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]pyridine has a molecular weight of 256.35 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]pyridine is sourced from PubChem (CID 129370378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).