1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-N,N-dimethylpiperidine-4-carboxamide

C19H30N2O3 — CID 110882096

IUPAC1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-N,N-dimethylpiperidine-4-carboxamide
SMILESCc1cccc(C)c1OCC(O)CN1CCC(C(=O)N(C)C)CC1
InChIInChI=1S/C19H30N2O3/c1-14-6-5-7-15(2)18(14)24-13-17(22)12-21-10-8-16(9-11-21)19(23)20(3)4/h5-7,16-17,22H,8-13H2,1-4H3
InChIKeyCPVFLXBXWMZJCD-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.84
Rot. Bonds6

About 1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-N,N-dimethylpiperidine-4-carboxamide

1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-N,N-dimethylpiperidine-4-carboxamide (PubChem CID 110882096) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-N,N-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-N,N-dimethylpiperidine-4-carboxamide
PubChem CID110882096
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-N,N-dimethylpiperidine-4-carboxamide
SMILESCc1cccc(C)c1OCC(O)CN1CCC(C(=O)N(C)C)CC1
InChIInChI=1S/C19H30N2O3/c1-14-6-5-7-15(2)18(14)24-13-17(22)12-21-10-8-16(9-11-21)19(23)20(3)4/h5-7,16-17,22H,8-13H2,1-4H3
InChIKeyCPVFLXBXWMZJCD-UHFFFAOYSA-N
XLogP1.84
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dimethylphenoxy)-3-[4-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 23739744
1-(2,6-dimethylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol chloride
CID 21237803
1-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-3-(2,6-dimethylphenoxy)propan-2-ol
CID 110900550
1-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-N,N-dimethylpiperidine-4-carboxamide
CID 110882093
1-(2,6-dimethylphenoxy)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;dihydrochloride
CID 2866483
(2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(2,6-dimethylphenoxy)propan-2-ol
CID 7428342
1-(2,6-dimethylphenoxy)-3-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propan-2-ol
CID 138959567
1-(2,6-dimethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 2882652
N-[1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-yl]-N-methylacetamide
CID 110910639
(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2,6-dimethylphenoxy)propan-2-ol
CID 829797
1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(2,6-dimethylphenoxy)propan-2-ol
CID 55346195
(2R)-1-(2,6-dimethylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 878689

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-N,N-dimethylpiperidine-4-carboxamide?
The IUPAC name of 1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-N,N-dimethylpiperidine-4-carboxamide (CID 110882096) is 1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-N,N-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-N,N-dimethylpiperidine-4-carboxamide?
The canonical SMILES for 1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-N,N-dimethylpiperidine-4-carboxamide is Cc1cccc(C)c1OCC(O)CN1CCC(C(=O)N(C)C)CC1.
What is the InChIKey of 1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-N,N-dimethylpiperidine-4-carboxamide?
The InChIKey is CPVFLXBXWMZJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-14-6-5-7-15(2)18(14)24-13-17(22)12-21-10-8-16(9-11-21)19(23)20(3)4/h5-7,16-17,22H,8-13H2,1-4H3.
What are the key properties of 1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-N,N-dimethylpiperidine-4-carboxamide?
1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-N,N-dimethylpiperidine-4-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-N,N-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 110882096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).