1-[2-[(5-methyl-1-phenylpyrazol-4-yl)-phenylmethoxy]ethyl]piperidine

C24H29N3O — CID 10619494

IUPAC1-[2-[(5-methyl-1-phenylpyrazol-4-yl)-phenylmethoxy]ethyl]piperidine
SMILESCc1c(C(OCCN2CCCCC2)c2ccccc2)cnn1-c1ccccc1
InChIInChI=1S/C24H29N3O/c1-20-23(19-25-27(20)22-13-7-3-8-14-22)24(21-11-5-2-6-12-21)28-18-17-26-15-9-4-10-16-26/h2-3,5-8,11-14,19,24H,4,9-10,15-18H2,1H3
InChIKeyPLWJEZDSSJPWPA-UHFFFAOYSA-N
MW375.52 g/mol
LogP4.77
Rot. Bonds7

About 1-[2-[(5-methyl-1-phenylpyrazol-4-yl)-phenylmethoxy]ethyl]piperidine

1-[2-[(5-methyl-1-phenylpyrazol-4-yl)-phenylmethoxy]ethyl]piperidine (PubChem CID 10619494) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is 1-[2-[(5-methyl-1-phenylpyrazol-4-yl)-phenylmethoxy]ethyl]piperidine.

Molecular Properties

Compound Name1-[2-[(5-methyl-1-phenylpyrazol-4-yl)-phenylmethoxy]ethyl]piperidine
PubChem CID10619494
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC Name1-[2-[(5-methyl-1-phenylpyrazol-4-yl)-phenylmethoxy]ethyl]piperidine
SMILESCc1c(C(OCCN2CCCCC2)c2ccccc2)cnn1-c1ccccc1
InChIInChI=1S/C24H29N3O/c1-20-23(19-25-27(20)22-13-7-3-8-14-22)24(21-11-5-2-6-12-21)28-18-17-26-15-9-4-10-16-26/h2-3,5-8,11-14,19,24H,4,9-10,15-18H2,1H3
InChIKeyPLWJEZDSSJPWPA-UHFFFAOYSA-N
XLogP4.77
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 23275348
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N-[2-phenyl-2-(2-piperidin-1-ylethoxy)ethyl]propan-2-amine
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1-methyl-5-[phenyl(3-pyrrolidin-1-ylpropoxy)methyl]pyrazole
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1-(5-tert-butyl-1-phenylpyrazol-4-yl)-4-piperidin-1-ylbutan-1-ol
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1-[1-(2-benzhydryloxyethyl)piperidin-4-yl]ethanol
CID 111114119
1-[2-[(2-chlorophenyl)-phenylmethoxy]ethyl]-4-(2-phenylethyl)piperazine
CID 131880421
methyl 1-(2-benzhydryloxyethyl)piperidine-4-carboxylate
CID 86913313
1-(2-benzhydryloxyethyl)piperazine chloride
CID 53314194
1-(2-benzhydryloxyethyl)piperidin-4-one
CID 10614853
1-(2-benzhydryloxyethyl)-4-benzylpiperidine
CID 127026610
3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-1-phenylpropan-1-ol;ethane
CID 91244751

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-methyl-1-phenylpyrazol-4-yl)-phenylmethoxy]ethyl]piperidine?
The IUPAC name of 1-[2-[(5-methyl-1-phenylpyrazol-4-yl)-phenylmethoxy]ethyl]piperidine (CID 10619494) is 1-[2-[(5-methyl-1-phenylpyrazol-4-yl)-phenylmethoxy]ethyl]piperidine.
What is the SMILES notation for 1-[2-[(5-methyl-1-phenylpyrazol-4-yl)-phenylmethoxy]ethyl]piperidine?
The canonical SMILES for 1-[2-[(5-methyl-1-phenylpyrazol-4-yl)-phenylmethoxy]ethyl]piperidine is Cc1c(C(OCCN2CCCCC2)c2ccccc2)cnn1-c1ccccc1.
What is the InChIKey of 1-[2-[(5-methyl-1-phenylpyrazol-4-yl)-phenylmethoxy]ethyl]piperidine?
The InChIKey is PLWJEZDSSJPWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O/c1-20-23(19-25-27(20)22-13-7-3-8-14-22)24(21-11-5-2-6-12-21)28-18-17-26-15-9-4-10-16-26/h2-3,5-8,11-14,19,24H,4,9-10,15-18H2,1H3.
What are the key properties of 1-[2-[(5-methyl-1-phenylpyrazol-4-yl)-phenylmethoxy]ethyl]piperidine?
1-[2-[(5-methyl-1-phenylpyrazol-4-yl)-phenylmethoxy]ethyl]piperidine has a molecular weight of 375.52 g/mol, XLogP of 4.77, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-methyl-1-phenylpyrazol-4-yl)-phenylmethoxy]ethyl]piperidine is sourced from PubChem (CID 10619494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).