[5,5-dimethyl-2-(4-piperidin-1-ylphenyl)-1,3-dioxan-2-yl]methanamine

C18H28N2O2 — CID 67797882

IUPAC[5,5-dimethyl-2-(4-piperidin-1-ylphenyl)-1,3-dioxan-2-yl]methanamine
SMILESCC1(C)COC(CN)(c2ccc(N3CCCCC3)cc2)OC1
InChIInChI=1S/C18H28N2O2/c1-17(2)13-21-18(12-19,22-14-17)15-6-8-16(9-7-15)20-10-4-3-5-11-20/h6-9H,3-5,10-14,19H2,1-2H3
InChIKeyNDCSQJLMQNPCAV-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.86
Rot. Bonds3

About [5,5-dimethyl-2-(4-piperidin-1-ylphenyl)-1,3-dioxan-2-yl]methanamine

[5,5-dimethyl-2-(4-piperidin-1-ylphenyl)-1,3-dioxan-2-yl]methanamine (PubChem CID 67797882) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is [5,5-dimethyl-2-(4-piperidin-1-ylphenyl)-1,3-dioxan-2-yl]methanamine.

Molecular Properties

Compound Name[5,5-dimethyl-2-(4-piperidin-1-ylphenyl)-1,3-dioxan-2-yl]methanamine
PubChem CID67797882
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name[5,5-dimethyl-2-(4-piperidin-1-ylphenyl)-1,3-dioxan-2-yl]methanamine
SMILESCC1(C)COC(CN)(c2ccc(N3CCCCC3)cc2)OC1
InChIInChI=1S/C18H28N2O2/c1-17(2)13-21-18(12-19,22-14-17)15-6-8-16(9-7-15)20-10-4-3-5-11-20/h6-9H,3-5,10-14,19H2,1-2H3
InChIKeyNDCSQJLMQNPCAV-UHFFFAOYSA-N
XLogP2.86
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-pyrrolidin-1-ylphenyl)cyclohexyl]methanamine
CID 117400102
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
2-[4-(azepan-1-yl)phenyl]-2-methylpropan-1-amine
CID 28807053
N-[(3-methyloxetan-3-yl)methyl]-1-(4-pyrrolidin-1-ylphenyl)methanamine
CID 78957539
ethanamine;4-piperidin-1-ylpyridin-1-ium
CID 142565329
1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine
CID 4961250
1-(4-piperidin-1-ylphenyl)cyclopropane-1-carboxylic acid
CID 112558554
1-[4-[1-fluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-2-yl]phenyl]piperidine
CID 171111965
4-(azepan-1-yl)aniline;dihydrochloride
CID 16640674
4-(azepan-1-yl)aniline;hydrochloride
CID 6603137
1-[4-(azepan-1-yl)phenyl]ethanamine
CID 43188750
1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine;hydrochloride
CID 75176021

Frequently Asked Questions

What is the IUPAC name of [5,5-dimethyl-2-(4-piperidin-1-ylphenyl)-1,3-dioxan-2-yl]methanamine?
The IUPAC name of [5,5-dimethyl-2-(4-piperidin-1-ylphenyl)-1,3-dioxan-2-yl]methanamine (CID 67797882) is [5,5-dimethyl-2-(4-piperidin-1-ylphenyl)-1,3-dioxan-2-yl]methanamine.
What is the SMILES notation for [5,5-dimethyl-2-(4-piperidin-1-ylphenyl)-1,3-dioxan-2-yl]methanamine?
The canonical SMILES for [5,5-dimethyl-2-(4-piperidin-1-ylphenyl)-1,3-dioxan-2-yl]methanamine is CC1(C)COC(CN)(c2ccc(N3CCCCC3)cc2)OC1.
What is the InChIKey of [5,5-dimethyl-2-(4-piperidin-1-ylphenyl)-1,3-dioxan-2-yl]methanamine?
The InChIKey is NDCSQJLMQNPCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-17(2)13-21-18(12-19,22-14-17)15-6-8-16(9-7-15)20-10-4-3-5-11-20/h6-9H,3-5,10-14,19H2,1-2H3.
What are the key properties of [5,5-dimethyl-2-(4-piperidin-1-ylphenyl)-1,3-dioxan-2-yl]methanamine?
[5,5-dimethyl-2-(4-piperidin-1-ylphenyl)-1,3-dioxan-2-yl]methanamine has a molecular weight of 304.43 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5,5-dimethyl-2-(4-piperidin-1-ylphenyl)-1,3-dioxan-2-yl]methanamine is sourced from PubChem (CID 67797882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).