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

C16H24N2O2 — CID 60819959

IUPAC(2-hydroxy-3-methylphenyl)-[4-(propylamino)piperidin-1-yl]methanone
SMILESCCCNC1CCN(C(=O)c2cccc(C)c2O)CC1
InChIInChI=1S/C16H24N2O2/c1-3-9-17-13-7-10-18(11-8-13)16(20)14-6-4-5-12(2)15(14)19/h4-6,13,17,19H,3,7-11H2,1-2H3
InChIKeyITUWBAGOZGVYCX-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.30
Rot. Bonds4

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

(2-hydroxy-3-methylphenyl)-[4-(propylamino)piperidin-1-yl]methanone (PubChem CID 60819959) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2-hydroxy-3-methylphenyl)-[4-(propylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-hydroxy-3-methylphenyl)-[4-(propylamino)piperidin-1-yl]methanone
PubChem CID60819959
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(2-hydroxy-3-methylphenyl)-[4-(propylamino)piperidin-1-yl]methanone
SMILESCCCNC1CCN(C(=O)c2cccc(C)c2O)CC1
InChIInChI=1S/C16H24N2O2/c1-3-9-17-13-7-10-18(11-8-13)16(20)14-6-4-5-12(2)15(14)19/h4-6,13,17,19H,3,7-11H2,1-2H3
InChIKeyITUWBAGOZGVYCX-UHFFFAOYSA-N
XLogP2.30
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-hydroxy-3-methylphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 113281924
(4-hydroxy-2-methylphenyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 107670478
(2-hydroxy-3-methylphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248844
(2-ethoxyphenyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 60817895
2-[1-(2-hydroxy-3-methylbenzoyl)piperidin-4-yl]acetic acid
CID 79614738
(2-fluoro-4-hydroxyphenyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 107674300
1-[1-(2-methylbenzoyl)piperidin-4-yl]-3-propylurea
CID 110820264
(4-amino-3-ethylpiperidin-1-yl)-(2-hydroxy-3-methylphenyl)methanone
CID 81457202
[4-(2-chloroethoxy)piperidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone
CID 82701383
(4-ethylphenyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 60819285
(3-ethylpiperidin-1-yl)-(2-hydroxy-3-methylphenyl)methanone
CID 43430135
[3-(1-aminoethyl)pyrrolidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone
CID 113360696

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3-methylphenyl)-[4-(propylamino)piperidin-1-yl]methanone?
The IUPAC name of (2-hydroxy-3-methylphenyl)-[4-(propylamino)piperidin-1-yl]methanone (CID 60819959) is (2-hydroxy-3-methylphenyl)-[4-(propylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (2-hydroxy-3-methylphenyl)-[4-(propylamino)piperidin-1-yl]methanone?
The canonical SMILES for (2-hydroxy-3-methylphenyl)-[4-(propylamino)piperidin-1-yl]methanone is CCCNC1CCN(C(=O)c2cccc(C)c2O)CC1.
What is the InChIKey of (2-hydroxy-3-methylphenyl)-[4-(propylamino)piperidin-1-yl]methanone?
The InChIKey is ITUWBAGOZGVYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-9-17-13-7-10-18(11-8-13)16(20)14-6-4-5-12(2)15(14)19/h4-6,13,17,19H,3,7-11H2,1-2H3.
What are the key properties of (2-hydroxy-3-methylphenyl)-[4-(propylamino)piperidin-1-yl]methanone?
(2-hydroxy-3-methylphenyl)-[4-(propylamino)piperidin-1-yl]methanone has a molecular weight of 276.38 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3-methylphenyl)-[4-(propylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 60819959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).