1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-4-phenylbutan-1-one

C22H27NO2 — CID 110891683

IUPAC1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-4-phenylbutan-1-one
SMILESO=C(CCCc1ccccc1)N1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C22H27NO2/c24-21(13-7-10-18-8-3-1-4-9-18)23-16-14-20(15-17-23)22(25)19-11-5-2-6-12-19/h1-6,8-9,11-12,20,22,25H,7,10,13-17H2
InChIKeyNRLJFYZXYUMUDP-UHFFFAOYSA-N
MW337.46 g/mol
LogP3.98
Rot. Bonds6

About 1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-4-phenylbutan-1-one

1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-4-phenylbutan-1-one (PubChem CID 110891683) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is 1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-4-phenylbutan-1-one.

Molecular Properties

Compound Name1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-4-phenylbutan-1-one
PubChem CID110891683
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-4-phenylbutan-1-one
SMILESO=C(CCCc1ccccc1)N1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C22H27NO2/c24-21(13-7-10-18-8-3-1-4-9-18)23-16-14-20(15-17-23)22(25)19-11-5-2-6-12-19/h1-6,8-9,11-12,20,22,25H,7,10,13-17H2
InChIKeyNRLJFYZXYUMUDP-UHFFFAOYSA-N
XLogP3.98
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one
CID 142479909
3-(4-tert-butylphenyl)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one
CID 46511092
3-(3-fluorophenyl)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one
CID 110887276
1-(4-methylpiperidin-1-yl)-4-phenylbutan-1-one
CID 1122148
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 110899700
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-one
CID 55670430
1-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]-4-phenylbutan-1-one
CID 95874166
2-cyclopentyl-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
CID 110883117
1-(4-benzhydrylpiperazin-4-ium-1-yl)-4-phenylbutan-1-one
CID 7348933
2-ethoxy-1-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
CID 95763117
(R)-phenyl-[1-(2-phenylethyl)piperidin-4-yl]methanol
CID 6604770
1-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one
CID 94036422

Frequently Asked Questions

What is the IUPAC name of 1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-4-phenylbutan-1-one?
The IUPAC name of 1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-4-phenylbutan-1-one (CID 110891683) is 1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-4-phenylbutan-1-one.
What is the SMILES notation for 1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-4-phenylbutan-1-one?
The canonical SMILES for 1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-4-phenylbutan-1-one is O=C(CCCc1ccccc1)N1CCC(C(O)c2ccccc2)CC1.
What is the InChIKey of 1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-4-phenylbutan-1-one?
The InChIKey is NRLJFYZXYUMUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c24-21(13-7-10-18-8-3-1-4-9-18)23-16-14-20(15-17-23)22(25)19-11-5-2-6-12-19/h1-6,8-9,11-12,20,22,25H,7,10,13-17H2.
What are the key properties of 1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-4-phenylbutan-1-one?
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-4-phenylbutan-1-one has a molecular weight of 337.46 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-4-phenylbutan-1-one is sourced from PubChem (CID 110891683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).