1-(4-methylphenoxy)-3-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]propan-2-ol

C20H29N3O2 — CID 56780674

IUPAC1-(4-methylphenoxy)-3-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]propan-2-ol
SMILESCc1ccc(OCC(O)CN2CCC(Cn3cc(C)cn3)CC2)cc1
InChIInChI=1S/C20H29N3O2/c1-16-3-5-20(6-4-16)25-15-19(24)14-22-9-7-18(8-10-22)13-23-12-17(2)11-21-23/h3-6,11-12,18-19,24H,7-10,13-15H2,1-2H3
InChIKeyIIUYGPNGHWWTQD-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.65
Rot. Bonds7

About 1-(4-methylphenoxy)-3-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]propan-2-ol

1-(4-methylphenoxy)-3-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]propan-2-ol (PubChem CID 56780674) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-(4-methylphenoxy)-3-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(4-methylphenoxy)-3-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]propan-2-ol
PubChem CID56780674
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name1-(4-methylphenoxy)-3-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]propan-2-ol
SMILESCc1ccc(OCC(O)CN2CCC(Cn3cc(C)cn3)CC2)cc1
InChIInChI=1S/C20H29N3O2/c1-16-3-5-20(6-4-16)25-15-19(24)14-22-9-7-18(8-10-22)13-23-12-17(2)11-21-23/h3-6,11-12,18-19,24H,7-10,13-15H2,1-2H3
InChIKeyIIUYGPNGHWWTQD-UHFFFAOYSA-N
XLogP2.65
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Propanol, 3-(tert-butylamino)-1-(6-(1-(1H-pyrazol-1-yl)vinyl)phenoxy)-
CID 3069766
1-(Propan-2-ylamino)-3-[2-(1-pyrazol-1-ylethenyl)phenoxy]propan-2-ol
CID 15916952
1-(Propan-2-ylamino)-3-[2-(pyrazol-1-ylmethyl)phenoxy]propan-2-ol
CID 15917632
{4-(2-phenoxyethyl)-1-[3-(1H-pyrazol-1-yl)propyl]-4-piperidinyl}methanol
CID 16187212
(1-{[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl}piperidin-4-yl)methanol
CID 16187569
(1,4-dioxan-2-ylmethyl)methyl{[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl}amine
CID 16190228
3-methoxy-1-{[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl}piperidine
CID 16191202
1-{[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl}-4-piperidinol
CID 16191407
1-(4-{[[(1,3-dimethyl-1H-pyrazol-4-yl)methyl](methyl)amino]methyl}phenoxy)-3-(1-piperidinyl)-2-propanol
CID 16191452
2-{1-(4-ethoxybenzyl)-4-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-2-piperazinyl}ethanol
CID 16192019
2-{1-(4-ethoxybenzyl)-4-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-2-piperazinyl}ethanol
CID 16192129
2-{1-(4-ethoxybenzyl)-4-[3-(1H-pyrazol-1-yl)propyl]-2-piperazinyl}ethanol
CID 16192158

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenoxy)-3-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]propan-2-ol?
The IUPAC name of 1-(4-methylphenoxy)-3-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]propan-2-ol (CID 56780674) is 1-(4-methylphenoxy)-3-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-(4-methylphenoxy)-3-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1-(4-methylphenoxy)-3-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]propan-2-ol is Cc1ccc(OCC(O)CN2CCC(Cn3cc(C)cn3)CC2)cc1.
What is the InChIKey of 1-(4-methylphenoxy)-3-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]propan-2-ol?
The InChIKey is IIUYGPNGHWWTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-16-3-5-20(6-4-16)25-15-19(24)14-22-9-7-18(8-10-22)13-23-12-17(2)11-21-23/h3-6,11-12,18-19,24H,7-10,13-15H2,1-2H3.
What are the key properties of 1-(4-methylphenoxy)-3-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]propan-2-ol?
1-(4-methylphenoxy)-3-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]propan-2-ol has a molecular weight of 343.47 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenoxy)-3-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 56780674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).