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

C16H24N2O2 — CID 107670478

IUPAC(4-hydroxy-2-methylphenyl)-[4-(propylamino)piperidin-1-yl]methanone
SMILESCCCNC1CCN(C(=O)c2ccc(O)cc2C)CC1
InChIInChI=1S/C16H24N2O2/c1-3-8-17-13-6-9-18(10-7-13)16(20)15-5-4-14(19)11-12(15)2/h4-5,11,13,17,19H,3,6-10H2,1-2H3
InChIKeyCHERDEOGVTYHPP-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.30
Rot. Bonds4

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

(4-hydroxy-2-methylphenyl)-[4-(propylamino)piperidin-1-yl]methanone (PubChem CID 107670478) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (4-hydroxy-2-methylphenyl)-[4-(propylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-hydroxy-2-methylphenyl)-[4-(propylamino)piperidin-1-yl]methanone
PubChem CID107670478
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(4-hydroxy-2-methylphenyl)-[4-(propylamino)piperidin-1-yl]methanone
SMILESCCCNC1CCN(C(=O)c2ccc(O)cc2C)CC1
InChIInChI=1S/C16H24N2O2/c1-3-8-17-13-6-9-18(10-7-13)16(20)15-5-4-14(19)11-12(15)2/h4-5,11,13,17,19H,3,6-10H2,1-2H3
InChIKeyCHERDEOGVTYHPP-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

[4-(ethylamino)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone
CID 107670477
(2-fluoro-4-hydroxyphenyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 107674300
(2-hydroxy-3-methylphenyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 60819959
(4-hydroxy-2-methylphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 107672010
[4-(1-aminoethyl)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone
CID 107672038
[4-(1-chloroethyl)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone
CID 107673269
(4-ethylphenyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 60819285
(4-hydroxy-2-methylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 103863834
(3-bromopyrrolidin-1-yl)-(4-hydroxy-2-methylphenyl)methanone
CID 107672985
(2-ethoxyphenyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 60817895
(3,5-difluorophenyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 60818593
1-(4-hydroxy-2-methylbenzoyl)pyrrolidine-3-carboxamide
CID 103865451

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-2-methylphenyl)-[4-(propylamino)piperidin-1-yl]methanone?
The IUPAC name of (4-hydroxy-2-methylphenyl)-[4-(propylamino)piperidin-1-yl]methanone (CID 107670478) is (4-hydroxy-2-methylphenyl)-[4-(propylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (4-hydroxy-2-methylphenyl)-[4-(propylamino)piperidin-1-yl]methanone?
The canonical SMILES for (4-hydroxy-2-methylphenyl)-[4-(propylamino)piperidin-1-yl]methanone is CCCNC1CCN(C(=O)c2ccc(O)cc2C)CC1.
What is the InChIKey of (4-hydroxy-2-methylphenyl)-[4-(propylamino)piperidin-1-yl]methanone?
The InChIKey is CHERDEOGVTYHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-8-17-13-6-9-18(10-7-13)16(20)15-5-4-14(19)11-12(15)2/h4-5,11,13,17,19H,3,6-10H2,1-2H3.
What are the key properties of (4-hydroxy-2-methylphenyl)-[4-(propylamino)piperidin-1-yl]methanone?
(4-hydroxy-2-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 (4-hydroxy-2-methylphenyl)-[4-(propylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 107670478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).