{4-(4-methoxybenzyl)-1-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}methanol

C22H33N3O2 — CID 16190591

IUPAC[4-[(4-methoxyphenyl)methyl]-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]methanol
SMILESCCCN1C(=C(C=N1)CN2CCC(CC2)(CC3=CC=C(C=C3)OC)CO)C
InChIInChI=1S/C22H33N3O2/c1-4-11-25-18(2)20(15-23-25)16-24-12-9-22(17-26,10-13-24)14-19-5-7-21(27-3)8-6-19/h5-8,15,26H,4,9-14,16-17H2,1-3H3
InChIKeyYLNSIFYTMXBLMT-UHFFFAOYSA-N
MW371.50 g/mol
LogP3.10
Rot. Bonds8

About {4-(4-methoxybenzyl)-1-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}methanol

{4-(4-methoxybenzyl)-1-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}methanol (PubChem CID 16190591) has the molecular formula C22H33N3O2 and a molecular weight of 371.50 g/mol. Its IUPAC name is [4-[(4-methoxyphenyl)methyl]-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name{4-(4-methoxybenzyl)-1-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}methanol
PubChem CID16190591
Molecular FormulaC22H33N3O2
Molecular Weight371.50 g/mol
Exact Mass371.26
IUPAC Name[4-[(4-methoxyphenyl)methyl]-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]methanol
SMILESCCCN1C(=C(C=N1)CN2CCC(CC2)(CC3=CC=C(C=C3)OC)CO)C
InChIInChI=1S/C22H33N3O2/c1-4-11-25-18(2)20(15-23-25)16-24-12-9-22(17-26,10-13-24)14-19-5-7-21(27-3)8-6-19/h5-8,15,26H,4,9-14,16-17H2,1-3H3
InChIKeyYLNSIFYTMXBLMT-UHFFFAOYSA-N
XLogP3.10
TPSA50.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity431

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.50
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methanol
CID 882911
[1-benzyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanol
CID 2496576
2-[4-[4-methoxy-3-(1H-pyrazol-1-ylmethyl)benzyl]-1-(3-methylbut-2-en-1-yl)piperazin-2-yl]ethanol
CID 16192215
(1S)-1-[(4aR,5S)-1-(4-methoxyphenyl)-4a-methyl-5,6,7,8-tetrahydro-4H-benzo[f]indazol-5-yl]ethanol
CID 164621667
[1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-4-(3-methoxybenzyl)piperidin-4-yl]methanol
CID 16188468
[4-(4-Methoxyphenyl)-1-phenylpyrazol-3-yl]methanol
CID 2512462
[3-(3-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methanol
CID 977051
5-(4-Butoxy-phenyl)-1-methyl-1H-pyrazole
CID 11195591
(1-{[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl}piperidin-4-yl)methanol
CID 16187569
1-(1-{[3-(3-fluorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}piperidin-4-yl)propan-1-ol
CID 16190220
(1,4-dioxan-2-ylmethyl)methyl{[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl}amine
CID 16190228
1,2-dimethyl-4-{[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl}piperazine
CID 16190324

Frequently Asked Questions

What is the IUPAC name of {4-(4-methoxybenzyl)-1-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}methanol?
The IUPAC name of {4-(4-methoxybenzyl)-1-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}methanol (CID 16190591) is [4-[(4-methoxyphenyl)methyl]-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]methanol.
What is the SMILES notation for {4-(4-methoxybenzyl)-1-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}methanol?
The canonical SMILES for {4-(4-methoxybenzyl)-1-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}methanol is CCCN1C(=C(C=N1)CN2CCC(CC2)(CC3=CC=C(C=C3)OC)CO)C.
What is the InChIKey of {4-(4-methoxybenzyl)-1-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}methanol?
The InChIKey is YLNSIFYTMXBLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-4-11-25-18(2)20(15-23-25)16-24-12-9-22(17-26,10-13-24)14-19-5-7-21(27-3)8-6-19/h5-8,15,26H,4,9-14,16-17H2,1-3H3.
What are the key properties of {4-(4-methoxybenzyl)-1-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}methanol?
{4-(4-methoxybenzyl)-1-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}methanol has a molecular weight of 371.50 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for {4-(4-methoxybenzyl)-1-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}methanol is sourced from PubChem (CID 16190591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).