[2-(piperidin-3-ylmethyl)-1,3-dioxolan-4-yl]methanamine

C10H20N2O2 — CID 115094596

IUPAC[2-(piperidin-3-ylmethyl)-1,3-dioxolan-4-yl]methanamine
SMILESNCC1COC(CC2CCCNC2)O1
InChIInChI=1S/C10H20N2O2/c11-5-9-7-13-10(14-9)4-8-2-1-3-12-6-8/h8-10,12H,1-7,11H2
InChIKeyHSHSKHSPYCIAKC-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.08
Rot. Bonds3

About [2-(piperidin-3-ylmethyl)-1,3-dioxolan-4-yl]methanamine

[2-(piperidin-3-ylmethyl)-1,3-dioxolan-4-yl]methanamine (PubChem CID 115094596) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is [2-(piperidin-3-ylmethyl)-1,3-dioxolan-4-yl]methanamine.

Molecular Properties

Compound Name[2-(piperidin-3-ylmethyl)-1,3-dioxolan-4-yl]methanamine
PubChem CID115094596
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name[2-(piperidin-3-ylmethyl)-1,3-dioxolan-4-yl]methanamine
SMILESNCC1COC(CC2CCCNC2)O1
InChIInChI=1S/C10H20N2O2/c11-5-9-7-13-10(14-9)4-8-2-1-3-12-6-8/h8-10,12H,1-7,11H2
InChIKeyHSHSKHSPYCIAKC-UHFFFAOYSA-N
XLogP0.08
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(cyclohexylmethyl)-1,3-dioxolan-4-yl]methanamine
CID 82776616
[2-(thiolan-3-ylmethyl)-1,3-dioxolan-4-yl]methanamine
CID 115094449
piperidin-3-ylmethanamine;trihydrochloride
CID 69122569
(3R)-3-(cyclopentylmethyl)piperidine
CID 94379259
3-(oxolan-3-ylmethyl)piperidine
CID 63563820
3-[[(4S)-4-methyloxan-2-yl]methyl]piperidine
CID 138580415
2-[2-(piperidin-4-ylmethyl)-1,3-dioxolan-4-yl]acetic acid
CID 117168672
2-[2-[(1,1-dioxothian-3-yl)methyl]-1,3-dioxolan-4-yl]ethanamine
CID 117169224
2-(cyclopentylmethyl)morpholine
CID 55278350
piperidin-3-ylmethanol
CID 161361606
3-[(dihydroxyamino)oxymethyl]piperidine
CID 67976448
4-piperidin-3-ylbut-2-yn-1-amine
CID 117265146

Frequently Asked Questions

What is the IUPAC name of [2-(piperidin-3-ylmethyl)-1,3-dioxolan-4-yl]methanamine?
The IUPAC name of [2-(piperidin-3-ylmethyl)-1,3-dioxolan-4-yl]methanamine (CID 115094596) is [2-(piperidin-3-ylmethyl)-1,3-dioxolan-4-yl]methanamine.
What is the SMILES notation for [2-(piperidin-3-ylmethyl)-1,3-dioxolan-4-yl]methanamine?
The canonical SMILES for [2-(piperidin-3-ylmethyl)-1,3-dioxolan-4-yl]methanamine is NCC1COC(CC2CCCNC2)O1.
What is the InChIKey of [2-(piperidin-3-ylmethyl)-1,3-dioxolan-4-yl]methanamine?
The InChIKey is HSHSKHSPYCIAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c11-5-9-7-13-10(14-9)4-8-2-1-3-12-6-8/h8-10,12H,1-7,11H2.
What are the key properties of [2-(piperidin-3-ylmethyl)-1,3-dioxolan-4-yl]methanamine?
[2-(piperidin-3-ylmethyl)-1,3-dioxolan-4-yl]methanamine has a molecular weight of 200.28 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(piperidin-3-ylmethyl)-1,3-dioxolan-4-yl]methanamine is sourced from PubChem (CID 115094596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).