[4-[2-(dimethylamino)ethoxy]piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone

C17H26N2O3 — CID 91836669

IUPAC[4-[2-(dimethylamino)ethoxy]piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone
SMILESCc1cc(C(=O)N2CCC(OCCN(C)C)CC2)ccc1O
InChIInChI=1S/C17H26N2O3/c1-13-12-14(4-5-16(13)20)17(21)19-8-6-15(7-9-19)22-11-10-18(2)3/h4-5,12,15,20H,6-11H2,1-3H3
InChIKeyYTFKVRUQXNBCAI-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.88
Rot. Bonds5

About [4-[2-(dimethylamino)ethoxy]piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone

[4-[2-(dimethylamino)ethoxy]piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone (PubChem CID 91836669) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is [4-[2-(dimethylamino)ethoxy]piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone.

Molecular Properties

Compound Name[4-[2-(dimethylamino)ethoxy]piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone
PubChem CID91836669
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name[4-[2-(dimethylamino)ethoxy]piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone
SMILESCc1cc(C(=O)N2CCC(OCCN(C)C)CC2)ccc1O
InChIInChI=1S/C17H26N2O3/c1-13-12-14(4-5-16(13)20)17(21)19-8-6-15(7-9-19)22-11-10-18(2)3/h4-5,12,15,20H,6-11H2,1-3H3
InChIKeyYTFKVRUQXNBCAI-UHFFFAOYSA-N
XLogP1.88
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-bromoethoxy)piperidin-1-yl]-(3-hydroxy-4-methylphenyl)methanone
CID 82701331
[4-(2-chloroethoxy)piperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone
CID 82701395
(4-hydroxy-3-methylphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 59238538
2,1,3-benzoxadiazol-5-yl-[4-[3-(dimethylamino)propoxy]piperidin-1-yl]methanone
CID 122134713
(4-aminophenyl)-[4-[2-(diethylamino)ethoxy]piperidin-1-yl]methanone
CID 22567487
[4-(3-aminopropoxy)piperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone;hydrochloride
CID 119662913
(4-hydroxy-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 103951613
(4-hydroxy-3-methylphenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 103951868
(3-amino-4-methylpiperidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 107672067
(1,1-dioxo-1,4-thiazinan-4-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 103955999
(3,5-dimethylpiperidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 103951623
[4-(2-aminoethoxy)piperidin-1-yl]-(4-hydroxyphenyl)methanone
CID 82700954

Frequently Asked Questions

What is the IUPAC name of [4-[2-(dimethylamino)ethoxy]piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone?
The IUPAC name of [4-[2-(dimethylamino)ethoxy]piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone (CID 91836669) is [4-[2-(dimethylamino)ethoxy]piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone.
What is the SMILES notation for [4-[2-(dimethylamino)ethoxy]piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone?
The canonical SMILES for [4-[2-(dimethylamino)ethoxy]piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone is Cc1cc(C(=O)N2CCC(OCCN(C)C)CC2)ccc1O.
What is the InChIKey of [4-[2-(dimethylamino)ethoxy]piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone?
The InChIKey is YTFKVRUQXNBCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-13-12-14(4-5-16(13)20)17(21)19-8-6-15(7-9-19)22-11-10-18(2)3/h4-5,12,15,20H,6-11H2,1-3H3.
What are the key properties of [4-[2-(dimethylamino)ethoxy]piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone?
[4-[2-(dimethylamino)ethoxy]piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone has a molecular weight of 306.41 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(dimethylamino)ethoxy]piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone is sourced from PubChem (CID 91836669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).