(4-hydroxy-4-methylpiperidin-1-yl)-[4-(methylamino)phenyl]methanone

C14H20N2O2 — CID 81109311

IUPAC(4-hydroxy-4-methylpiperidin-1-yl)-[4-(methylamino)phenyl]methanone
SMILESCNc1ccc(C(=O)N2CCC(C)(O)CC2)cc1
InChIInChI=1S/C14H20N2O2/c1-14(18)7-9-16(10-8-14)13(17)11-3-5-12(15-2)6-4-11/h3-6,15,18H,7-10H2,1-2H3
InChIKeyKYTPBQGFWUWCRN-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.72
Rot. Bonds2

About (4-hydroxy-4-methylpiperidin-1-yl)-[4-(methylamino)phenyl]methanone

(4-hydroxy-4-methylpiperidin-1-yl)-[4-(methylamino)phenyl]methanone (PubChem CID 81109311) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (4-hydroxy-4-methylpiperidin-1-yl)-[4-(methylamino)phenyl]methanone.

Molecular Properties

Compound Name(4-hydroxy-4-methylpiperidin-1-yl)-[4-(methylamino)phenyl]methanone
PubChem CID81109311
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(4-hydroxy-4-methylpiperidin-1-yl)-[4-(methylamino)phenyl]methanone
SMILESCNc1ccc(C(=O)N2CCC(C)(O)CC2)cc1
InChIInChI=1S/C14H20N2O2/c1-14(18)7-9-16(10-8-14)13(17)11-3-5-12(15-2)6-4-11/h3-6,15,18H,7-10H2,1-2H3
InChIKeyKYTPBQGFWUWCRN-UHFFFAOYSA-N
XLogP1.72
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethyl-4-methylpiperidin-1-yl)-[4-(methylamino)phenyl]methanone
CID 55160072
[4-(dimethylamino)phenyl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80718582
azocan-1-yl-[4-(methylamino)phenyl]methanone
CID 62172991
(4-tert-butylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80706809
(4-hydroxy-4-methylazepan-1-yl)-(4-sulfanylphenyl)methanone
CID 107408930
(3,4-dihydroxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103957511
(3,4-dichlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80707064
(4-hydroxy-4-methylpiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone
CID 80701731
(4-hydroxy-4-methylazepan-1-yl)-pyridazin-4-ylmethanone
CID 107405992
[4-(aminomethyl)phenyl]-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107403497
(4-hydroxy-4-methylpiperidin-1-yl)-(3-hydroxyphenyl)methanone
CID 81097779
(4,4-dimethylpiperidin-1-yl)-pyridin-4-ylmethanone
CID 110738617

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-4-methylpiperidin-1-yl)-[4-(methylamino)phenyl]methanone?
The IUPAC name of (4-hydroxy-4-methylpiperidin-1-yl)-[4-(methylamino)phenyl]methanone (CID 81109311) is (4-hydroxy-4-methylpiperidin-1-yl)-[4-(methylamino)phenyl]methanone.
What is the SMILES notation for (4-hydroxy-4-methylpiperidin-1-yl)-[4-(methylamino)phenyl]methanone?
The canonical SMILES for (4-hydroxy-4-methylpiperidin-1-yl)-[4-(methylamino)phenyl]methanone is CNc1ccc(C(=O)N2CCC(C)(O)CC2)cc1.
What is the InChIKey of (4-hydroxy-4-methylpiperidin-1-yl)-[4-(methylamino)phenyl]methanone?
The InChIKey is KYTPBQGFWUWCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14(18)7-9-16(10-8-14)13(17)11-3-5-12(15-2)6-4-11/h3-6,15,18H,7-10H2,1-2H3.
What are the key properties of (4-hydroxy-4-methylpiperidin-1-yl)-[4-(methylamino)phenyl]methanone?
(4-hydroxy-4-methylpiperidin-1-yl)-[4-(methylamino)phenyl]methanone has a molecular weight of 248.33 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-4-methylpiperidin-1-yl)-[4-(methylamino)phenyl]methanone is sourced from PubChem (CID 81109311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).