[(2R)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone

C18H23N3O2 — CID 97139701

IUPAC[(2R)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCn1cc(C(=O)N2CCCC[C@@H]2CCc2ccc(O)cc2)cn1
InChIInChI=1S/C18H23N3O2/c1-20-13-15(12-19-20)18(23)21-11-3-2-4-16(21)8-5-14-6-9-17(22)10-7-14/h6-7,9-10,12-13,16,22H,2-5,8,11H2,1H3/t16-/m1/s1
InChIKeyGPJWOQYFVPKIII-MRXNPFEDSA-N
MW313.40 g/mol
LogP2.75
Rot. Bonds4

About [(2R)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone

[(2R)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone (PubChem CID 97139701) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is [(2R)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
PubChem CID97139701
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name[(2R)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCn1cc(C(=O)N2CCCC[C@@H]2CCc2ccc(O)cc2)cn1
InChIInChI=1S/C18H23N3O2/c1-20-13-15(12-19-20)18(23)21-11-3-2-4-16(21)8-5-14-6-9-17(22)10-7-14/h6-7,9-10,12-13,16,22H,2-5,8,11H2,1H3/t16-/m1/s1
InChIKeyGPJWOQYFVPKIII-MRXNPFEDSA-N
XLogP2.75
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methylpyrazol-4-yl)-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone
CID 125014760
[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-quinoxalin-6-ylmethanone
CID 70774316
[2-(3-chloropropyl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 63396194
(4-ethyl-2-methyl-1,3-thiazol-5-yl)-[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methanone
CID 70757893
(1-cyclohexyltriazol-4-yl)-[(2S)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methanone
CID 42346388
1-[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-2-pyridin-3-ylethanone
CID 46988256
2-methoxyethyl 2-[2-(4-hydroxyphenyl)ethyl]piperidine-1-carboxylate
CID 56913114
[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 46990595
1-methyl-5-[(2R)-2-(2-phenylethyl)piperidine-1-carbonyl]pyridin-2-one
CID 97084725
[(2S)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone
CID 96573273
(4-chloro-1-methylpyrazol-3-yl)-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone
CID 97119632
[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone
CID 72905265

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of [(2R)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone (CID 97139701) is [(2R)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [(2R)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for [(2R)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone is Cn1cc(C(=O)N2CCCC[C@@H]2CCc2ccc(O)cc2)cn1.
What is the InChIKey of [(2R)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The InChIKey is GPJWOQYFVPKIII-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-20-13-15(12-19-20)18(23)21-11-3-2-4-16(21)8-5-14-6-9-17(22)10-7-14/h6-7,9-10,12-13,16,22H,2-5,8,11H2,1H3/t16-/m1/s1.
What are the key properties of [(2R)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
[(2R)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone has a molecular weight of 313.40 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 97139701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).