(4-methoxyphenyl)-(4-methylidenepiperidin-1-yl)methanone

C14H17NO2 — CID 10657158

IUPAC(4-methoxyphenyl)-(4-methylidenepiperidin-1-yl)methanone
SMILESC=C1CCN(C(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C14H17NO2/c1-11-7-9-15(10-8-11)14(16)12-3-5-13(17-2)6-4-12/h3-6H,1,7-10H2,2H3
InChIKeyMCHJJBFHVRZFBT-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.49
Rot. Bonds2

About (4-methoxyphenyl)-(4-methylidenepiperidin-1-yl)methanone

(4-methoxyphenyl)-(4-methylidenepiperidin-1-yl)methanone (PubChem CID 10657158) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is (4-methoxyphenyl)-(4-methylidenepiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-(4-methylidenepiperidin-1-yl)methanone
PubChem CID10657158
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name(4-methoxyphenyl)-(4-methylidenepiperidin-1-yl)methanone
SMILESC=C1CCN(C(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C14H17NO2/c1-11-7-9-15(10-8-11)14(16)12-3-5-13(17-2)6-4-12/h3-6H,1,7-10H2,2H3
InChIKeyMCHJJBFHVRZFBT-UHFFFAOYSA-N
XLogP2.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
(4-methoxyphenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 18152974
[4-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 3530238
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
(4-methoxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 6467901
[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 38472427
[4-(4-methoxybenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone
CID 1147872
1-(4-methoxybenzoyl)-4-phenyl-1,4-diazepan-5-one
CID 110873914
3-(dimethylamino)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]propan-1-one
CID 110603348
2-adamantyl-[4-(4-methoxybenzoyl)piperazin-1-yl]methanone
CID 46570300
1-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,5-dione
CID 9159086

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(4-methylidenepiperidin-1-yl)methanone?
The IUPAC name of (4-methoxyphenyl)-(4-methylidenepiperidin-1-yl)methanone (CID 10657158) is (4-methoxyphenyl)-(4-methylidenepiperidin-1-yl)methanone.
What is the SMILES notation for (4-methoxyphenyl)-(4-methylidenepiperidin-1-yl)methanone?
The canonical SMILES for (4-methoxyphenyl)-(4-methylidenepiperidin-1-yl)methanone is C=C1CCN(C(=O)c2ccc(OC)cc2)CC1.
What is the InChIKey of (4-methoxyphenyl)-(4-methylidenepiperidin-1-yl)methanone?
The InChIKey is MCHJJBFHVRZFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-11-7-9-15(10-8-11)14(16)12-3-5-13(17-2)6-4-12/h3-6H,1,7-10H2,2H3.
What are the key properties of (4-methoxyphenyl)-(4-methylidenepiperidin-1-yl)methanone?
(4-methoxyphenyl)-(4-methylidenepiperidin-1-yl)methanone has a molecular weight of 231.30 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(4-methylidenepiperidin-1-yl)methanone is sourced from PubChem (CID 10657158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).