[2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-dioxolan-4-yl]methanamine

C13H26N2O2 — CID 115094477

IUPAC[2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-dioxolan-4-yl]methanamine
SMILESCC(C)N1CCC(CC2OCC(CN)O2)CC1
InChIInChI=1S/C13H26N2O2/c1-10(2)15-5-3-11(4-6-15)7-13-16-9-12(8-14)17-13/h10-13H,3-9,14H2,1-2H3
InChIKeyAUHGGBAIUCSVQC-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.20
Rot. Bonds4

About [2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-dioxolan-4-yl]methanamine

[2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-dioxolan-4-yl]methanamine (PubChem CID 115094477) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is [2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-dioxolan-4-yl]methanamine.

Molecular Properties

Compound Name[2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-dioxolan-4-yl]methanamine
PubChem CID115094477
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name[2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-dioxolan-4-yl]methanamine
SMILESCC(C)N1CCC(CC2OCC(CN)O2)CC1
InChIInChI=1S/C13H26N2O2/c1-10(2)15-5-3-11(4-6-15)7-13-16-9-12(8-14)17-13/h10-13H,3-9,14H2,1-2H3
InChIKeyAUHGGBAIUCSVQC-UHFFFAOYSA-N
XLogP1.20
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-dioxolan-4-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(cyclohexylmethyl)-1,3-dioxolan-4-yl]methanamine
CID 82776616
[2-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-dioxolan-4-yl]methanamine
CID 117168727
[2-(piperidin-3-ylmethyl)-1,3-dioxolan-4-yl]methanamine
CID 115094596
2-[2-[(1-ethylpiperidin-4-yl)methyl]-1,3-dioxolan-4-yl]acetic acid
CID 117168680
(5S)-5-(aminomethyl)-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazolidin-2-one
CID 115056620
[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-dioxolan-4-yl]methanamine
CID 115094517
(2S,5R)-5-(aminomethyl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)oxolane-2-carboxamide
CID 120797670
1-ethyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine
CID 171094387
2-[(3S)-1-propan-2-ylpyrrolidin-3-yl]ethanamine
CID 94058250
5,5-dimethyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazinane
CID 117226361
1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperidine
CID 59059970
4-(cyclohexylmethyl)-1-propan-2-ylpiperidine;3-methylbutan-1-ol
CID 170952399

Frequently Asked Questions

What is the IUPAC name of [2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-dioxolan-4-yl]methanamine?
The IUPAC name of [2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-dioxolan-4-yl]methanamine (CID 115094477) is [2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-dioxolan-4-yl]methanamine.
What is the SMILES notation for [2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-dioxolan-4-yl]methanamine?
The canonical SMILES for [2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-dioxolan-4-yl]methanamine is CC(C)N1CCC(CC2OCC(CN)O2)CC1.
What is the InChIKey of [2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-dioxolan-4-yl]methanamine?
The InChIKey is AUHGGBAIUCSVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(2)15-5-3-11(4-6-15)7-13-16-9-12(8-14)17-13/h10-13H,3-9,14H2,1-2H3.
What are the key properties of [2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-dioxolan-4-yl]methanamine?
[2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-dioxolan-4-yl]methanamine has a molecular weight of 242.36 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-dioxolan-4-yl]methanamine is sourced from PubChem (CID 115094477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).