N-(1,3-dioxan-4-ylmethyl)-N-propylpiperidin-3-amine

C13H26N2O2 — CID 63637854

IUPACN-(1,3-dioxan-4-ylmethyl)-N-propylpiperidin-3-amine
SMILESCCCN(CC1CCOCO1)C1CCCNC1
InChIInChI=1S/C13H26N2O2/c1-2-7-15(12-4-3-6-14-9-12)10-13-5-8-16-11-17-13/h12-14H,2-11H2,1H3
InChIKeyYQWMAOOBIFUPOD-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.21
Rot. Bonds5

About N-(1,3-dioxan-4-ylmethyl)-N-propylpiperidin-3-amine

N-(1,3-dioxan-4-ylmethyl)-N-propylpiperidin-3-amine (PubChem CID 63637854) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-(1,3-dioxan-4-ylmethyl)-N-propylpiperidin-3-amine.

Molecular Properties

Compound NameN-(1,3-dioxan-4-ylmethyl)-N-propylpiperidin-3-amine
PubChem CID63637854
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-(1,3-dioxan-4-ylmethyl)-N-propylpiperidin-3-amine
SMILESCCCN(CC1CCOCO1)C1CCCNC1
InChIInChI=1S/C13H26N2O2/c1-2-7-15(12-4-3-6-14-9-12)10-13-5-8-16-11-17-13/h12-14H,2-11H2,1H3
InChIKeyYQWMAOOBIFUPOD-UHFFFAOYSA-N
XLogP1.21
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxolan-3-ylmethyl)-N-propylpiperidin-3-amine
CID 63638803
N-ethyl-N-(oxolan-2-ylmethyl)piperidin-3-amine
CID 61434221
N-ethyl-N-propylpiperidin-3-amine
CID 43317075
N-(1,3-dioxan-4-ylmethyl)-N-ethylpiperidin-4-amine
CID 60806783
N-(oxolan-2-ylmethyl)-N-propylpiperidin-4-amine
CID 60806655
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propylpiperidin-3-amine
CID 66365889
N-(piperidin-3-ylmethyl)-N,2-dipropyloxan-4-amine
CID 106625371
N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-propylpyrrolidin-3-amine
CID 102899394
N-propyl-N-[(2,4,6-trimethylphenyl)methyl]piperidin-3-amine
CID 63637073
N-(cyclopropylmethyl)-N-propylazepan-4-amine
CID 63902557
4-N-(1,3-dioxan-4-ylmethyl)-4-N-ethylcyclohexane-1,4-diamine
CID 79116059
N-propyl-N-(pyrrolidin-2-ylmethyl)oxan-4-amine
CID 106604067

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxan-4-ylmethyl)-N-propylpiperidin-3-amine?
The IUPAC name of N-(1,3-dioxan-4-ylmethyl)-N-propylpiperidin-3-amine (CID 63637854) is N-(1,3-dioxan-4-ylmethyl)-N-propylpiperidin-3-amine.
What is the SMILES notation for N-(1,3-dioxan-4-ylmethyl)-N-propylpiperidin-3-amine?
The canonical SMILES for N-(1,3-dioxan-4-ylmethyl)-N-propylpiperidin-3-amine is CCCN(CC1CCOCO1)C1CCCNC1.
What is the InChIKey of N-(1,3-dioxan-4-ylmethyl)-N-propylpiperidin-3-amine?
The InChIKey is YQWMAOOBIFUPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-2-7-15(12-4-3-6-14-9-12)10-13-5-8-16-11-17-13/h12-14H,2-11H2,1H3.
What are the key properties of N-(1,3-dioxan-4-ylmethyl)-N-propylpiperidin-3-amine?
N-(1,3-dioxan-4-ylmethyl)-N-propylpiperidin-3-amine has a molecular weight of 242.36 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxan-4-ylmethyl)-N-propylpiperidin-3-amine is sourced from PubChem (CID 63637854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).