(3S)-1-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]-3-(1H-pyrazol-5-yl)piperidine

C15H25N3O2 — CID 98768010

IUPAC(3S)-1-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]-3-(1H-pyrazol-5-yl)piperidine
SMILESc1cc([C@H]2CCCN(CCOC[C@H]3CCCO3)C2)[nH]n1
InChIInChI=1S/C15H25N3O2/c1-3-13(15-5-6-16-17-15)11-18(7-1)8-10-19-12-14-4-2-9-20-14/h5-6,13-14H,1-4,7-12H2,(H,16,17)/t13-,14+/m0/s1
InChIKeyWMXZNDFOAFMUSG-UONOGXRCSA-N
MW279.38 g/mol
LogP1.78
Rot. Bonds6

About (3S)-1-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]-3-(1H-pyrazol-5-yl)piperidine

(3S)-1-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]-3-(1H-pyrazol-5-yl)piperidine (PubChem CID 98768010) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is (3S)-1-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]-3-(1H-pyrazol-5-yl)piperidine.

Molecular Properties

Compound Name(3S)-1-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]-3-(1H-pyrazol-5-yl)piperidine
PubChem CID98768010
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name(3S)-1-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]-3-(1H-pyrazol-5-yl)piperidine
SMILESc1cc([C@H]2CCCN(CCOC[C@H]3CCCO3)C2)[nH]n1
InChIInChI=1S/C15H25N3O2/c1-3-13(15-5-6-16-17-15)11-18(7-1)8-10-19-12-14-4-2-9-20-14/h5-6,13-14H,1-4,7-12H2,(H,16,17)/t13-,14+/m0/s1
InChIKeyWMXZNDFOAFMUSG-UONOGXRCSA-N
XLogP1.78
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(4-ethoxyphenoxy)ethyl]-3-(1H-pyrazol-5-yl)piperidine
CID 126770076
10,13-bis[2-(oxolan-2-ylmethoxy)ethyl]-1,4,7-trioxa-10,13-diazacyclopentadecane
CID 14910693
1-phenyl-4-[2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]piperazine
CID 124758004
1-[(2-methylpyrazol-3-yl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 134696298
1-[(5-bromofuran-2-yl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 122139250
3-(furan-2-yl)-5-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 124842582
5-[2-(oxan-2-ylmethoxy)ethyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 45241866
1-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 98766920
(3S)-1-[(2,6-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 124568925
(3R)-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]pyrrolidin-3-amine
CID 129490392
1-[(3,4-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 45200707
(3S)-1-tert-butyl-3-(1H-pyrazol-5-yl)piperidine
CID 176612652

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]-3-(1H-pyrazol-5-yl)piperidine?
The IUPAC name of (3S)-1-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]-3-(1H-pyrazol-5-yl)piperidine (CID 98768010) is (3S)-1-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]-3-(1H-pyrazol-5-yl)piperidine.
What is the SMILES notation for (3S)-1-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]-3-(1H-pyrazol-5-yl)piperidine?
The canonical SMILES for (3S)-1-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]-3-(1H-pyrazol-5-yl)piperidine is c1cc([C@H]2CCCN(CCOC[C@H]3CCCO3)C2)[nH]n1.
What is the InChIKey of (3S)-1-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]-3-(1H-pyrazol-5-yl)piperidine?
The InChIKey is WMXZNDFOAFMUSG-UONOGXRCSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-3-13(15-5-6-16-17-15)11-18(7-1)8-10-19-12-14-4-2-9-20-14/h5-6,13-14H,1-4,7-12H2,(H,16,17)/t13-,14+/m0/s1.
What are the key properties of (3S)-1-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]-3-(1H-pyrazol-5-yl)piperidine?
(3S)-1-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]-3-(1H-pyrazol-5-yl)piperidine has a molecular weight of 279.38 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]-3-(1H-pyrazol-5-yl)piperidine is sourced from PubChem (CID 98768010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).