1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(3,5-dimethylphenoxy)propan-1-one;hydrochloride

C18H29ClN2O2 — CID 120815097

IUPAC1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(3,5-dimethylphenoxy)propan-1-one;hydrochloride
SMILESCc1cc(C)cc(OCCC(=O)N2CCC(N)C(C)(C)C2)c1.Cl
InChIInChI=1S/C18H28N2O2.ClH/c1-13-9-14(2)11-15(10-13)22-8-6-17(21)20-7-5-16(19)18(3,4)12-20;/h9-11,16H,5-8,12,19H2,1-4H3;1H
InChIKeyDFWVITQQRUQXGP-UHFFFAOYSA-N
MW340.90 g/mol
LogP3.08
Rot. Bonds4

About 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(3,5-dimethylphenoxy)propan-1-one;hydrochloride

1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(3,5-dimethylphenoxy)propan-1-one;hydrochloride (PubChem CID 120815097) has the molecular formula C18H29ClN2O2 and a molecular weight of 340.90 g/mol. Its IUPAC name is 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(3,5-dimethylphenoxy)propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(3,5-dimethylphenoxy)propan-1-one;hydrochloride
PubChem CID120815097
Molecular FormulaC18H29ClN2O2
Molecular Weight340.90 g/mol
Exact Mass340.19
IUPAC Name1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(3,5-dimethylphenoxy)propan-1-one;hydrochloride
SMILESCc1cc(C)cc(OCCC(=O)N2CCC(N)C(C)(C)C2)c1.Cl
InChIInChI=1S/C18H28N2O2.ClH/c1-13-9-14(2)11-15(10-13)22-8-6-17(21)20-7-5-16(19)18(3,4)12-20;/h9-11,16H,5-8,12,19H2,1-4H3;1H
InChIKeyDFWVITQQRUQXGP-UHFFFAOYSA-N
XLogP3.08
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.90
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-amino-3,3-dimethylpiperidin-1-yl)-5-(3-methylphenoxy)pentan-1-one
CID 120819975
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(2,4-dimethylphenoxy)propan-1-one;hydrochloride
CID 120817690
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-(3,5-dimethylphenoxy)propan-1-one;hydrochloride
CID 120804866
3-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropoxy]benzamide
CID 120819165
3-(3,5-dimethylphenoxy)-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119545622
(4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethylphenyl)methanone;hydrochloride
CID 120814617
1-(4-amino-3,3-dimethylpiperidin-1-yl)-4-ethoxybutan-1-one;hydrochloride
CID 120819208
N-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]-2,4,6-trimethylbenzenesulfonamide;hydrochloride
CID 120817816
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(3-methylphenyl)propan-1-one
CID 120818633
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(oxan-4-yloxy)propan-1-one
CID 120817284
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(3,5-dimethylphenyl)cyclopropyl]methanone;hydrochloride
CID 120816629
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-methoxyethoxy)ethanone;hydrochloride
CID 120814620

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(3,5-dimethylphenoxy)propan-1-one;hydrochloride?
The IUPAC name of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(3,5-dimethylphenoxy)propan-1-one;hydrochloride (CID 120815097) is 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(3,5-dimethylphenoxy)propan-1-one;hydrochloride.
What is the SMILES notation for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(3,5-dimethylphenoxy)propan-1-one;hydrochloride?
The canonical SMILES for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(3,5-dimethylphenoxy)propan-1-one;hydrochloride is Cc1cc(C)cc(OCCC(=O)N2CCC(N)C(C)(C)C2)c1.Cl.
What is the InChIKey of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(3,5-dimethylphenoxy)propan-1-one;hydrochloride?
The InChIKey is DFWVITQQRUQXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2.ClH/c1-13-9-14(2)11-15(10-13)22-8-6-17(21)20-7-5-16(19)18(3,4)12-20;/h9-11,16H,5-8,12,19H2,1-4H3;1H.
What are the key properties of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(3,5-dimethylphenoxy)propan-1-one;hydrochloride?
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(3,5-dimethylphenoxy)propan-1-one;hydrochloride has a molecular weight of 340.90 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(3,5-dimethylphenoxy)propan-1-one;hydrochloride is sourced from PubChem (CID 120815097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).