(2-hydroxy-4-methoxyphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone

C16H23NO3 — CID 103711808

IUPAC(2-hydroxy-4-methoxyphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCC(C(C)C)CC2)c(O)c1
InChIInChI=1S/C16H23NO3/c1-11(2)12-6-8-17(9-7-12)16(19)14-5-4-13(20-3)10-15(14)18/h4-5,10-12,18H,6-9H2,1-3H3
InChIKeyKFGGESSLQQBDOT-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.91
Rot. Bonds3

About (2-hydroxy-4-methoxyphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone

(2-hydroxy-4-methoxyphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone (PubChem CID 103711808) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is (2-hydroxy-4-methoxyphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-hydroxy-4-methoxyphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
PubChem CID103711808
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name(2-hydroxy-4-methoxyphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCC(C(C)C)CC2)c(O)c1
InChIInChI=1S/C16H23NO3/c1-11(2)12-6-8-17(9-7-12)16(19)14-5-4-13(20-3)10-15(14)18/h4-5,10-12,18H,6-9H2,1-3H3
InChIKeyKFGGESSLQQBDOT-UHFFFAOYSA-N
XLogP2.91
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-hydroxy-4-methoxyphenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 112697858
(2-hydroxy-5-methoxyphenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 112697873
(2-hydroxy-4-methoxyphenyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 79117583
N'-hydroxy-1-(2-hydroxy-4-methoxybenzoyl)piperidine-4-carboximidamide
CID 77038522
[4-(1-hydroxyethyl)piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone
CID 111463007
[3-(aminomethyl)pyrrolidin-1-yl]-(2-hydroxy-4-methoxyphenyl)methanone
CID 62063385
(4-ethyl-4-methylpiperidin-1-yl)-(2-hydroxy-4-methoxyphenyl)methanone
CID 62728608
[4-(1-aminoethyl)piperidin-1-yl]-(2-iodo-4-methoxyphenyl)methanone;hydrochloride
CID 119517181
N-[1-(2-hydroxy-4-methoxybenzoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 51127230
[3-(2-chloroethyl)pyrrolidin-1-yl]-(2-hydroxy-4-methoxyphenyl)methanone
CID 114801108
(4-benzhydrylpiperazin-1-yl)-(2-hydroxy-4-methoxyphenyl)methanone
CID 29262916
[3-(1-aminoethyl)pyrrolidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 115969440

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-4-methoxyphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (2-hydroxy-4-methoxyphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone (CID 103711808) is (2-hydroxy-4-methoxyphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-hydroxy-4-methoxyphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (2-hydroxy-4-methoxyphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone is COc1ccc(C(=O)N2CCC(C(C)C)CC2)c(O)c1.
What is the InChIKey of (2-hydroxy-4-methoxyphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The InChIKey is KFGGESSLQQBDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-11(2)12-6-8-17(9-7-12)16(19)14-5-4-13(20-3)10-15(14)18/h4-5,10-12,18H,6-9H2,1-3H3.
What are the key properties of (2-hydroxy-4-methoxyphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone?
(2-hydroxy-4-methoxyphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone has a molecular weight of 277.36 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-4-methoxyphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 103711808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).