1-(4-fluoro-2-propan-2-yloxyphenyl)-4-[[5-[(2-methylidenepiperidin-1-yl)methyl]-1H-pyrazol-3-yl]methyl]piperazine

C24H34FN5O — CID 18738377

IUPAC1-(4-fluoro-2-propan-2-yloxyphenyl)-4-[[5-[(2-methylidenepiperidin-1-yl)methyl]-1H-pyrazol-3-yl]methyl]piperazine
SMILESC=C1CCCCN1Cc1cc(CN2CCN(c3ccc(F)cc3OC(C)C)CC2)n[nH]1
InChIInChI=1S/C24H34FN5O/c1-18(2)31-24-14-20(25)7-8-23(24)29-12-10-28(11-13-29)16-21-15-22(27-26-21)17-30-9-5-4-6-19(30)3/h7-8,14-15,18H,3-6,9-13,16-17H2,1-2H3,(H,26,27)
InChIKeyLASGIPKIPPRWTM-UHFFFAOYSA-N
MW427.57 g/mol
LogP4.16
Rot. Bonds7

About 1-(4-fluoro-2-propan-2-yloxyphenyl)-4-[[5-[(2-methylidenepiperidin-1-yl)methyl]-1H-pyrazol-3-yl]methyl]piperazine

1-(4-fluoro-2-propan-2-yloxyphenyl)-4-[[5-[(2-methylidenepiperidin-1-yl)methyl]-1H-pyrazol-3-yl]methyl]piperazine (PubChem CID 18738377) has the molecular formula C24H34FN5O and a molecular weight of 427.57 g/mol. Its IUPAC name is 1-(4-fluoro-2-propan-2-yloxyphenyl)-4-[[5-[(2-methylidenepiperidin-1-yl)methyl]-1H-pyrazol-3-yl]methyl]piperazine.

Molecular Properties

Compound Name1-(4-fluoro-2-propan-2-yloxyphenyl)-4-[[5-[(2-methylidenepiperidin-1-yl)methyl]-1H-pyrazol-3-yl]methyl]piperazine
PubChem CID18738377
Molecular FormulaC24H34FN5O
Molecular Weight427.57 g/mol
Exact Mass427.27
IUPAC Name1-(4-fluoro-2-propan-2-yloxyphenyl)-4-[[5-[(2-methylidenepiperidin-1-yl)methyl]-1H-pyrazol-3-yl]methyl]piperazine
SMILESC=C1CCCCN1Cc1cc(CN2CCN(c3ccc(F)cc3OC(C)C)CC2)n[nH]1
InChIInChI=1S/C24H34FN5O/c1-18(2)31-24-14-20(25)7-8-23(24)29-12-10-28(11-13-29)16-21-15-22(27-26-21)17-30-9-5-4-6-19(30)3/h7-8,14-15,18H,3-6,9-13,16-17H2,1-2H3,(H,26,27)
InChIKeyLASGIPKIPPRWTM-UHFFFAOYSA-N
XLogP4.16
TPSA47.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-propan-2-yloxyphenyl)-4-[[5-[(2-methylidenepiperidin-1-yl)methyl]-1H-pyrazol-3-yl]methyl]piperazine?
The IUPAC name of 1-(4-fluoro-2-propan-2-yloxyphenyl)-4-[[5-[(2-methylidenepiperidin-1-yl)methyl]-1H-pyrazol-3-yl]methyl]piperazine (CID 18738377) is 1-(4-fluoro-2-propan-2-yloxyphenyl)-4-[[5-[(2-methylidenepiperidin-1-yl)methyl]-1H-pyrazol-3-yl]methyl]piperazine.
What is the SMILES notation for 1-(4-fluoro-2-propan-2-yloxyphenyl)-4-[[5-[(2-methylidenepiperidin-1-yl)methyl]-1H-pyrazol-3-yl]methyl]piperazine?
The canonical SMILES for 1-(4-fluoro-2-propan-2-yloxyphenyl)-4-[[5-[(2-methylidenepiperidin-1-yl)methyl]-1H-pyrazol-3-yl]methyl]piperazine is C=C1CCCCN1Cc1cc(CN2CCN(c3ccc(F)cc3OC(C)C)CC2)n[nH]1.
What is the InChIKey of 1-(4-fluoro-2-propan-2-yloxyphenyl)-4-[[5-[(2-methylidenepiperidin-1-yl)methyl]-1H-pyrazol-3-yl]methyl]piperazine?
The InChIKey is LASGIPKIPPRWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34FN5O/c1-18(2)31-24-14-20(25)7-8-23(24)29-12-10-28(11-13-29)16-21-15-22(27-26-21)17-30-9-5-4-6-19(30)3/h7-8,14-15,18H,3-6,9-13,16-17H2,1-2H3,(H,26,27).
What are the key properties of 1-(4-fluoro-2-propan-2-yloxyphenyl)-4-[[5-[(2-methylidenepiperidin-1-yl)methyl]-1H-pyrazol-3-yl]methyl]piperazine?
1-(4-fluoro-2-propan-2-yloxyphenyl)-4-[[5-[(2-methylidenepiperidin-1-yl)methyl]-1H-pyrazol-3-yl]methyl]piperazine has a molecular weight of 427.57 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-propan-2-yloxyphenyl)-4-[[5-[(2-methylidenepiperidin-1-yl)methyl]-1H-pyrazol-3-yl]methyl]piperazine is sourced from PubChem (CID 18738377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).