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

C16H32N2O — CID 83061995

IUPACN-methyl-1-[4-[(2-propylpiperidin-1-yl)methyl]oxan-4-yl]methanamine
SMILESCCCC1CCCCN1CC1(CNC)CCOCC1
InChIInChI=1S/C16H32N2O/c1-3-6-15-7-4-5-10-18(15)14-16(13-17-2)8-11-19-12-9-16/h15,17H,3-14H2,1-2H3
InChIKeyMERZMMTWDQNFSZ-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.66
Rot. Bonds6

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

N-methyl-1-[4-[(2-propylpiperidin-1-yl)methyl]oxan-4-yl]methanamine (PubChem CID 83061995) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-methyl-1-[4-[(2-propylpiperidin-1-yl)methyl]oxan-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-[(2-propylpiperidin-1-yl)methyl]oxan-4-yl]methanamine
PubChem CID83061995
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-methyl-1-[4-[(2-propylpiperidin-1-yl)methyl]oxan-4-yl]methanamine
SMILESCCCC1CCCCN1CC1(CNC)CCOCC1
InChIInChI=1S/C16H32N2O/c1-3-6-15-7-4-5-10-18(15)14-16(13-17-2)8-11-19-12-9-16/h15,17H,3-14H2,1-2H3
InChIKeyMERZMMTWDQNFSZ-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[(2-propylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine
CID 83045767
[4-[(2-propylpiperidin-1-yl)methyl]oxan-4-yl]methanol
CID 83062160
1-[4-[(2-ethylpyrrolidin-1-yl)methyl]oxan-4-yl]-N-methylmethanamine
CID 62392836
N,N-dimethyl-1-[1-[[4-(methylaminomethyl)oxan-4-yl]methyl]pyrrolidin-2-yl]methanamine
CID 62889038
1-[3-[(2-ethylazepan-1-yl)methyl]oxan-3-yl]-N-methylmethanamine
CID 104691941
N-[[3-[(2-propylpiperidin-1-yl)methyl]oxan-3-yl]methyl]cyclopropanamine
CID 83045766
1-[4-[(2,3-dimethylpiperidin-1-yl)methyl]oxan-4-yl]-N-methylmethanamine
CID 62392017
4-[(2-propylpiperidin-1-yl)methyl]oxane-4-carboxylic acid
CID 83061533
N-methyl-1-[4-[(4-propylpiperidin-1-yl)methyl]oxan-4-yl]methanamine
CID 62392876
2-[1-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]piperidin-2-yl]ethanol
CID 62390771
1-[[1-(bromomethyl)cyclobutyl]methyl]-2-propylpiperidine
CID 83062041
1-[4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)oxan-4-yl]-N-methylmethanamine
CID 62392564

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-[(2-propylpiperidin-1-yl)methyl]oxan-4-yl]methanamine?
The IUPAC name of N-methyl-1-[4-[(2-propylpiperidin-1-yl)methyl]oxan-4-yl]methanamine (CID 83061995) is N-methyl-1-[4-[(2-propylpiperidin-1-yl)methyl]oxan-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-[(2-propylpiperidin-1-yl)methyl]oxan-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-[(2-propylpiperidin-1-yl)methyl]oxan-4-yl]methanamine is CCCC1CCCCN1CC1(CNC)CCOCC1.
What is the InChIKey of N-methyl-1-[4-[(2-propylpiperidin-1-yl)methyl]oxan-4-yl]methanamine?
The InChIKey is MERZMMTWDQNFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-3-6-15-7-4-5-10-18(15)14-16(13-17-2)8-11-19-12-9-16/h15,17H,3-14H2,1-2H3.
What are the key properties of N-methyl-1-[4-[(2-propylpiperidin-1-yl)methyl]oxan-4-yl]methanamine?
N-methyl-1-[4-[(2-propylpiperidin-1-yl)methyl]oxan-4-yl]methanamine has a molecular weight of 268.44 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-[(2-propylpiperidin-1-yl)methyl]oxan-4-yl]methanamine is sourced from PubChem (CID 83061995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).