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

C15H22N2O2 — CID 107672038

IUPAC[4-(1-aminoethyl)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone
SMILESCc1cc(O)ccc1C(=O)N1CCC(C(C)N)CC1
InChIInChI=1S/C15H22N2O2/c1-10-9-13(18)3-4-14(10)15(19)17-7-5-12(6-8-17)11(2)16/h3-4,9,11-12,18H,5-8,16H2,1-2H3
InChIKeyOFCRJPBONOQGIS-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.90
Rot. Bonds2

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

[4-(1-aminoethyl)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone (PubChem CID 107672038) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is [4-(1-aminoethyl)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(1-aminoethyl)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone
PubChem CID107672038
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name[4-(1-aminoethyl)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone
SMILESCc1cc(O)ccc1C(=O)N1CCC(C(C)N)CC1
InChIInChI=1S/C15H22N2O2/c1-10-9-13(18)3-4-14(10)15(19)17-7-5-12(6-8-17)11(2)16/h3-4,9,11-12,18H,5-8,16H2,1-2H3
InChIKeyOFCRJPBONOQGIS-UHFFFAOYSA-N
XLogP1.90
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(1R)-1-aminoethyl]piperidin-1-yl]-(2,4-dimethylphenyl)methanone
CID 98523636
[4-(1-chloroethyl)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone
CID 107673269
[4-(1-aminoethyl)piperidin-1-yl]-(4-bromo-2-methylphenyl)methanone;hydrochloride
CID 119518483
[4-(1-aminoethyl)piperidin-1-yl]-(2-chloro-5-hydroxyphenyl)methanone
CID 106502596
[4-(1-aminoethyl)piperidin-1-yl]-(2,3-dihydroxyphenyl)methanone
CID 114345026
[4-(ethylamino)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone
CID 107670477
(4-hydroxy-2-methylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 103863834
1-(4-hydroxy-2-methylbenzoyl)pyrrolidine-3-carboxamide
CID 103865451
[4-(1-aminoethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone
CID 63595679
(4-hydroxy-2-methylphenyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 107670478
(3-bromopyrrolidin-1-yl)-(4-hydroxy-2-methylphenyl)methanone
CID 107672985
[4-(1-aminoethyl)piperidin-1-yl]-(2-iodo-5-methylphenyl)methanone
CID 119518219

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone?
The IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone (CID 107672038) is [4-(1-aminoethyl)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone.
What is the SMILES notation for [4-(1-aminoethyl)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone?
The canonical SMILES for [4-(1-aminoethyl)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone is Cc1cc(O)ccc1C(=O)N1CCC(C(C)N)CC1.
What is the InChIKey of [4-(1-aminoethyl)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone?
The InChIKey is OFCRJPBONOQGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10-9-13(18)3-4-14(10)15(19)17-7-5-12(6-8-17)11(2)16/h3-4,9,11-12,18H,5-8,16H2,1-2H3.
What are the key properties of [4-(1-aminoethyl)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone?
[4-(1-aminoethyl)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone has a molecular weight of 262.35 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminoethyl)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone is sourced from PubChem (CID 107672038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).