N-(oxan-3-ylmethyl)-1-(1-propylpiperidin-3-yl)ethanamine

C16H32N2O — CID 54906402

IUPACN-(oxan-3-ylmethyl)-1-(1-propylpiperidin-3-yl)ethanamine
SMILESCCCN1CCCC(C(C)NCC2CCCOC2)C1
InChIInChI=1S/C16H32N2O/c1-3-8-18-9-4-7-16(12-18)14(2)17-11-15-6-5-10-19-13-15/h14-17H,3-13H2,1-2H3
InChIKeyYDNSRPHOKPNKNQ-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.51
Rot. Bonds6

About N-(oxan-3-ylmethyl)-1-(1-propylpiperidin-3-yl)ethanamine

N-(oxan-3-ylmethyl)-1-(1-propylpiperidin-3-yl)ethanamine (PubChem CID 54906402) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-(oxan-3-ylmethyl)-1-(1-propylpiperidin-3-yl)ethanamine.

Molecular Properties

Compound NameN-(oxan-3-ylmethyl)-1-(1-propylpiperidin-3-yl)ethanamine
PubChem CID54906402
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-(oxan-3-ylmethyl)-1-(1-propylpiperidin-3-yl)ethanamine
SMILESCCCN1CCCC(C(C)NCC2CCCOC2)C1
InChIInChI=1S/C16H32N2O/c1-3-8-18-9-4-7-16(12-18)14(2)17-11-15-6-5-10-19-13-15/h14-17H,3-13H2,1-2H3
InChIKeyYDNSRPHOKPNKNQ-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxan-4-ylmethyl)-1-(1-propylpiperidin-3-yl)ethanamine
CID 63726467
N-(1,4-dioxan-2-ylmethyl)-1-(1-propylpiperidin-3-yl)ethanamine
CID 54907830
N-[(4-ethylmorpholin-2-yl)methyl]-1-(1-propylpiperidin-3-yl)ethanamine
CID 114399559
N-(oxan-3-ylmethyl)-1-(oxolan-3-yl)ethanamine
CID 115710912
N-[1-(1-propylpiperidin-3-yl)ethyl]pentan-1-amine
CID 43307476
1-(1-methylpiperidin-4-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 60920670
3-[[1-(1-propylpiperidin-3-yl)ethylamino]methyl]pentan-3-ol
CID 65105569
5-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]hexan-1-amine
CID 115325204
2,2-dimethyl-3-[1-(1-propylpiperidin-3-yl)ethylamino]propan-1-ol
CID 113293730
3-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]butan-2-amine
CID 43308725
N-[(3-methoxyoxolan-3-yl)methyl]-1-(1-propylpiperidin-3-yl)ethanamine
CID 104759640
3-propan-2-yloxy-N-[1-(1-propylpiperidin-3-yl)ethyl]propan-1-amine
CID 43308556

Frequently Asked Questions

What is the IUPAC name of N-(oxan-3-ylmethyl)-1-(1-propylpiperidin-3-yl)ethanamine?
The IUPAC name of N-(oxan-3-ylmethyl)-1-(1-propylpiperidin-3-yl)ethanamine (CID 54906402) is N-(oxan-3-ylmethyl)-1-(1-propylpiperidin-3-yl)ethanamine.
What is the SMILES notation for N-(oxan-3-ylmethyl)-1-(1-propylpiperidin-3-yl)ethanamine?
The canonical SMILES for N-(oxan-3-ylmethyl)-1-(1-propylpiperidin-3-yl)ethanamine is CCCN1CCCC(C(C)NCC2CCCOC2)C1.
What is the InChIKey of N-(oxan-3-ylmethyl)-1-(1-propylpiperidin-3-yl)ethanamine?
The InChIKey is YDNSRPHOKPNKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-3-8-18-9-4-7-16(12-18)14(2)17-11-15-6-5-10-19-13-15/h14-17H,3-13H2,1-2H3.
What are the key properties of N-(oxan-3-ylmethyl)-1-(1-propylpiperidin-3-yl)ethanamine?
N-(oxan-3-ylmethyl)-1-(1-propylpiperidin-3-yl)ethanamine has a molecular weight of 268.44 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-3-ylmethyl)-1-(1-propylpiperidin-3-yl)ethanamine is sourced from PubChem (CID 54906402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).