[4-(3-phenylpropyl)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]methanol

C25H31N3O — CID 42513645

IUPAC[4-(3-phenylpropyl)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]methanol
SMILESOCC1(CCCc2ccccc2)CCN(Cc2cn[nH]c2-c2ccccc2)CC1
InChIInChI=1S/C25H31N3O/c29-20-25(13-7-10-21-8-3-1-4-9-21)14-16-28(17-15-25)19-23-18-26-27-24(23)22-11-5-2-6-12-22/h1-6,8-9,11-12,18,29H,7,10,13-17,19-20H2,(H,26,27)
InChIKeyYVODWPLZEOMWST-UHFFFAOYSA-N
MW389.54 g/mol
LogP4.67
Rot. Bonds8

About [4-(3-phenylpropyl)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]methanol

[4-(3-phenylpropyl)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]methanol (PubChem CID 42513645) has the molecular formula C25H31N3O and a molecular weight of 389.54 g/mol. Its IUPAC name is [4-(3-phenylpropyl)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-(3-phenylpropyl)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]methanol
PubChem CID42513645
Molecular FormulaC25H31N3O
Molecular Weight389.54 g/mol
Exact Mass389.25
IUPAC Name[4-(3-phenylpropyl)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]methanol
SMILESOCC1(CCCc2ccccc2)CCN(Cc2cn[nH]c2-c2ccccc2)CC1
InChIInChI=1S/C25H31N3O/c29-20-25(13-7-10-21-8-3-1-4-9-21)14-16-28(17-15-25)19-23-18-26-27-24(23)22-11-5-2-6-12-22/h1-6,8-9,11-12,18,29H,7,10,13-17,19-20H2,(H,26,27)
InChIKeyYVODWPLZEOMWST-UHFFFAOYSA-N
XLogP4.67
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-(2-phenylethyl)-8-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26136085
4-(4-chlorophenyl)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-ol
CID 2812594
[1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(3-phenylpropyl)piperidin-4-yl]methanol
CID 42244523
[1-[(6-methyl-2-pyridinyl)methyl]-4-(3-phenylpropyl)piperidin-4-yl]methanol
CID 42095166
2-[[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-yl]methyl]-5-methoxyphenol
CID 42288726
[1-[(4-methoxyphenyl)methyl]-4-(3-phenylpropyl)piperidin-4-yl]methanol
CID 42558104
3a-(2-phenylethyl)-5-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;dihydrochloride
CID 154917407
(1R,2R)-1-amino-1'-[(5-phenyl-1H-pyrazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 56884912
2-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907721
2-[4-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]ethanol
CID 110882554
N-[[(4R)-4-hydroxy-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]azepan-4-yl]methyl]methanesulfonamide
CID 95715534
1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-4-propyl-1,4-diazepan-5-one
CID 42169864

Frequently Asked Questions

What is the IUPAC name of [4-(3-phenylpropyl)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]methanol?
The IUPAC name of [4-(3-phenylpropyl)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]methanol (CID 42513645) is [4-(3-phenylpropyl)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [4-(3-phenylpropyl)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]methanol?
The canonical SMILES for [4-(3-phenylpropyl)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]methanol is OCC1(CCCc2ccccc2)CCN(Cc2cn[nH]c2-c2ccccc2)CC1.
What is the InChIKey of [4-(3-phenylpropyl)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]methanol?
The InChIKey is YVODWPLZEOMWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O/c29-20-25(13-7-10-21-8-3-1-4-9-21)14-16-28(17-15-25)19-23-18-26-27-24(23)22-11-5-2-6-12-22/h1-6,8-9,11-12,18,29H,7,10,13-17,19-20H2,(H,26,27).
What are the key properties of [4-(3-phenylpropyl)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]methanol?
[4-(3-phenylpropyl)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]methanol has a molecular weight of 389.54 g/mol, XLogP of 4.67, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-phenylpropyl)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 42513645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).