[4-[3-(1-methoxyethyl)phenyl]phenyl]-piperidin-1-ylmethanone

C21H25NO2 — CID 119065535

IUPAC[4-[3-(1-methoxyethyl)phenyl]phenyl]-piperidin-1-ylmethanone
SMILESCOC(C)c1cccc(-c2ccc(C(=O)N3CCCCC3)cc2)c1
InChIInChI=1S/C21H25NO2/c1-16(24-2)19-7-6-8-20(15-19)17-9-11-18(12-10-17)21(23)22-13-4-3-5-14-22/h6-12,15-16H,3-5,13-14H2,1-2H3
InChIKeyMUZISVLNWUZWAR-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.69
Rot. Bonds4

About [4-[3-(1-methoxyethyl)phenyl]phenyl]-piperidin-1-ylmethanone

[4-[3-(1-methoxyethyl)phenyl]phenyl]-piperidin-1-ylmethanone (PubChem CID 119065535) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is [4-[3-(1-methoxyethyl)phenyl]phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[3-(1-methoxyethyl)phenyl]phenyl]-piperidin-1-ylmethanone
PubChem CID119065535
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name[4-[3-(1-methoxyethyl)phenyl]phenyl]-piperidin-1-ylmethanone
SMILESCOC(C)c1cccc(-c2ccc(C(=O)N3CCCCC3)cc2)c1
InChIInChI=1S/C21H25NO2/c1-16(24-2)19-7-6-8-20(15-19)17-9-11-18(12-10-17)21(23)22-13-4-3-5-14-22/h6-12,15-16H,3-5,13-14H2,1-2H3
InChIKeyMUZISVLNWUZWAR-UHFFFAOYSA-N
XLogP4.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

piperidin-1-yl-[4-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]methanone
CID 97438053
azepan-1-yl-[3-(4-methylphenyl)phenyl]methanone
CID 126484488
(4-methylsulfonylpiperazin-1-yl)-[4-(3-propan-2-ylphenyl)phenyl]methanone
CID 169277909
azocan-1-yl-[4-(4-hydroxy-3-methoxyphenyl)phenyl]methanone
CID 118777173
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
azepan-1-yl-[3-(3,4-dimethylphenyl)phenyl]methanone
CID 126484493
azepan-1-yl-[4-(3-piperazin-1-ylphenyl)phenyl]methanone;hydrochloride
CID 154909425
[4-[3-[(1R)-1-hydroxyethyl]phenyl]phenyl]-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 126434214
[3-(4-ethoxyphenyl)phenyl]-pyrrolidin-1-ylmethanone
CID 162660899
ethane;(4-methylphenyl)-piperidin-1-ylmethanone
CID 142182120
piperidin-1-yl-(3-propan-2-yloxyphenyl)methanone
CID 6458312
2-chloro-5-[4-(piperidine-1-carbonyl)phenyl]benzoic acid
CID 53228855

Frequently Asked Questions

What is the IUPAC name of [4-[3-(1-methoxyethyl)phenyl]phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [4-[3-(1-methoxyethyl)phenyl]phenyl]-piperidin-1-ylmethanone (CID 119065535) is [4-[3-(1-methoxyethyl)phenyl]phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-[3-(1-methoxyethyl)phenyl]phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-[3-(1-methoxyethyl)phenyl]phenyl]-piperidin-1-ylmethanone is COC(C)c1cccc(-c2ccc(C(=O)N3CCCCC3)cc2)c1.
What is the InChIKey of [4-[3-(1-methoxyethyl)phenyl]phenyl]-piperidin-1-ylmethanone?
The InChIKey is MUZISVLNWUZWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-16(24-2)19-7-6-8-20(15-19)17-9-11-18(12-10-17)21(23)22-13-4-3-5-14-22/h6-12,15-16H,3-5,13-14H2,1-2H3.
What are the key properties of [4-[3-(1-methoxyethyl)phenyl]phenyl]-piperidin-1-ylmethanone?
[4-[3-(1-methoxyethyl)phenyl]phenyl]-piperidin-1-ylmethanone has a molecular weight of 323.44 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(1-methoxyethyl)phenyl]phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 119065535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).