(3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine

C19H27N3O2 — CID 97422458

IUPAC(3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine
SMILESCOc1ccc(C[C@H]2CN(Cc3cnn(C)c3)CC[C@H]2OC)cc1
InChIInChI=1S/C19H27N3O2/c1-21-12-16(11-20-21)13-22-9-8-19(24-3)17(14-22)10-15-4-6-18(23-2)7-5-15/h4-7,11-12,17,19H,8-10,13-14H2,1-3H3/t17-,19+/m0/s1
InChIKeyFMQZHCPUZRIZHS-PKOBYXMFSA-N
MW329.44 g/mol
LogP2.51
Rot. Bonds6

About (3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine

(3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine (PubChem CID 97422458) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is (3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine.

Molecular Properties

Compound Name(3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine
PubChem CID97422458
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name(3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine
SMILESCOc1ccc(C[C@H]2CN(Cc3cnn(C)c3)CC[C@H]2OC)cc1
InChIInChI=1S/C19H27N3O2/c1-21-12-16(11-20-21)13-22-9-8-19(24-3)17(14-22)10-15-4-6-18(23-2)7-5-15/h4-7,11-12,17,19H,8-10,13-14H2,1-3H3/t17-,19+/m0/s1
InChIKeyFMQZHCPUZRIZHS-PKOBYXMFSA-N
XLogP2.51
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]methyl]pyridine
CID 97422462
(3R,4R)-3-[(2-fluorophenyl)methyl]-4-methoxy-1-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 155992563
2-[[(3S,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole
CID 97422773
[(3S,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 97423391
2-[[(3S,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]methyl]pyridine;2,2,2-trifluoroacetic acid
CID 171696381
[4-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanamine
CID 114959813
3-[[(3R,4S)-3-benzyl-4-methoxypiperidin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 124797918
4-methoxy-N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]benzenesulfonamide
CID 25304086
3-(chloromethyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine
CID 63388374
[(3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 97422474
(3R,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]-1-propylsulfonylpiperidine
CID 124831728
(3S,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]-1-(oxan-4-ylmethyl)piperidine;2,2,2-trifluoroacetic acid
CID 155825543

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine?
The IUPAC name of (3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine (CID 97422458) is (3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine.
What is the SMILES notation for (3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine?
The canonical SMILES for (3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine is COc1ccc(C[C@H]2CN(Cc3cnn(C)c3)CC[C@H]2OC)cc1.
What is the InChIKey of (3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine?
The InChIKey is FMQZHCPUZRIZHS-PKOBYXMFSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-21-12-16(11-20-21)13-22-9-8-19(24-3)17(14-22)10-15-4-6-18(23-2)7-5-15/h4-7,11-12,17,19H,8-10,13-14H2,1-3H3/t17-,19+/m0/s1.
What are the key properties of (3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine?
(3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine has a molecular weight of 329.44 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine is sourced from PubChem (CID 97422458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).