N-[[4-[(2-propylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine

C18H36N2O — CID 83045767

IUPACN-[[4-[(2-propylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine
SMILESCCCC1CCCCN1CC1(CNC(C)C)CCOCC1
InChIInChI=1S/C18H36N2O/c1-4-7-17-8-5-6-11-20(17)15-18(14-19-16(2)3)9-12-21-13-10-18/h16-17,19H,4-15H2,1-3H3
InChIKeyUZLGMBZVSTZSDG-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.44
Rot. Bonds7

About N-[[4-[(2-propylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine

N-[[4-[(2-propylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine (PubChem CID 83045767) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is N-[[4-[(2-propylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-[(2-propylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine
PubChem CID83045767
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC NameN-[[4-[(2-propylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine
SMILESCCCC1CCCCN1CC1(CNC(C)C)CCOCC1
InChIInChI=1S/C18H36N2O/c1-4-7-17-8-5-6-11-20(17)15-18(14-19-16(2)3)9-12-21-13-10-18/h16-17,19H,4-15H2,1-3H3
InChIKeyUZLGMBZVSTZSDG-UHFFFAOYSA-N
XLogP3.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-[(2-propylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-methyl-1-[4-[(2-propylpiperidin-1-yl)methyl]oxan-4-yl]methanamine
CID 83061995
[4-[(2-propylpiperidin-1-yl)methyl]oxan-4-yl]methanol
CID 83062160
N-[[3-[(2-methylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 55051462
N-[[4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)oxan-4-yl]methyl]propan-2-amine
CID 82753263
N-[[3-[(2-propylpiperidin-1-yl)methyl]oxan-3-yl]methyl]cyclopropanamine
CID 83045766
1-[4-[(2-ethylpyrrolidin-1-yl)methyl]oxan-4-yl]-N-methylmethanamine
CID 62392836
4-[(2-propylpiperidin-1-yl)methyl]oxane-4-carboxylic acid
CID 83061533
[1-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]piperidin-2-yl]methanol
CID 63740867
2-[1-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]piperidin-2-yl]ethanol
CID 62390771
1-[[1-(bromomethyl)cyclobutyl]methyl]-2-propylpiperidine
CID 83062041
N-[[3-[(4-propylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 62258098
3-[1-[[4-(ethylaminomethyl)oxan-4-yl]methyl]pyrrolidin-2-yl]propan-1-ol
CID 62479395

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-propylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-[(2-propylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine (CID 83045767) is N-[[4-[(2-propylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-[(2-propylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-[(2-propylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine is CCCC1CCCCN1CC1(CNC(C)C)CCOCC1.
What is the InChIKey of N-[[4-[(2-propylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine?
The InChIKey is UZLGMBZVSTZSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-4-7-17-8-5-6-11-20(17)15-18(14-19-16(2)3)9-12-21-13-10-18/h16-17,19H,4-15H2,1-3H3.
What are the key properties of N-[[4-[(2-propylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine?
N-[[4-[(2-propylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine has a molecular weight of 296.50 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-propylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 83045767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).