1-(2-methoxyphenyl)-4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]piperazine

C21H31N5O — CID 45216724

IUPAC1-(2-methoxyphenyl)-4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]piperazine
SMILESCOc1ccccc1N1CCN(C2CCCN(Cc3cnn(C)c3)C2)CC1
InChIInChI=1S/C21H31N5O/c1-23-15-18(14-22-23)16-24-9-5-6-19(17-24)25-10-12-26(13-11-25)20-7-3-4-8-21(20)27-2/h3-4,7-8,14-15,19H,5-6,9-13,16-17H2,1-2H3
InChIKeyAPOJHXWXNLMGFA-UHFFFAOYSA-N
MW369.51 g/mol
LogP2.22
Rot. Bonds5

About 1-(2-methoxyphenyl)-4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]piperazine

1-(2-methoxyphenyl)-4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]piperazine (PubChem CID 45216724) has the molecular formula C21H31N5O and a molecular weight of 369.51 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]piperazine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]piperazine
PubChem CID45216724
Molecular FormulaC21H31N5O
Molecular Weight369.51 g/mol
Exact Mass369.25
IUPAC Name1-(2-methoxyphenyl)-4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]piperazine
SMILESCOc1ccccc1N1CCN(C2CCCN(Cc3cnn(C)c3)C2)CC1
InChIInChI=1S/C21H31N5O/c1-23-15-18(14-22-23)16-24-9-5-6-19(17-24)25-10-12-26(13-11-25)20-7-3-4-8-21(20)27-2/h3-4,7-8,14-15,19H,5-6,9-13,16-17H2,1-2H3
InChIKeyAPOJHXWXNLMGFA-UHFFFAOYSA-N
XLogP2.22
TPSA36.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methoxyphenyl)-4-[(3R)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]piperazine
CID 28955712
4-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-yl]morpholine
CID 45219237
1-(2-methoxyphenyl)-4-[1-(2-phenylethyl)piperidin-3-yl]piperazine
CID 45237596
1-(2-methoxyphenyl)-4-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]piperazine
CID 45217219
1-(2-methoxyphenyl)-4-[1-(2-methylpropyl)piperidin-3-yl]piperazine
CID 45207866
1-[(3R)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-4-(2-methoxyphenyl)piperazine
CID 28685153
1-[(3R)-1-but-3-enylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine
CID 95709049
1-[1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazine
CID 45215133
1-[(3S)-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazine
CID 29021888
1-[(3R)-1-cyclobutylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine
CID 92709243
3-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2,2-dimethylpropan-1-ol
CID 51636421
2-[[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methyl]-3-methyl-1H-indole
CID 29219340

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]piperazine?
The IUPAC name of 1-(2-methoxyphenyl)-4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]piperazine (CID 45216724) is 1-(2-methoxyphenyl)-4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]piperazine.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]piperazine?
The canonical SMILES for 1-(2-methoxyphenyl)-4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]piperazine is COc1ccccc1N1CCN(C2CCCN(Cc3cnn(C)c3)C2)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]piperazine?
The InChIKey is APOJHXWXNLMGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O/c1-23-15-18(14-22-23)16-24-9-5-6-19(17-24)25-10-12-26(13-11-25)20-7-3-4-8-21(20)27-2/h3-4,7-8,14-15,19H,5-6,9-13,16-17H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]piperazine?
1-(2-methoxyphenyl)-4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]piperazine has a molecular weight of 369.51 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]piperazine is sourced from PubChem (CID 45216724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).