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

C16H32N2O — CID 62391631

IUPACN-[[4-[(4-methylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-1-amine
SMILESCCCNCC1(CN2CCC(C)CC2)CCOCC1
InChIInChI=1S/C16H32N2O/c1-3-8-17-13-16(6-11-19-12-7-16)14-18-9-4-15(2)5-10-18/h15,17H,3-14H2,1-2H3
InChIKeyBNVQGAJLXFUQQR-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.51
Rot. Bonds6

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

N-[[4-[(4-methylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-1-amine (PubChem CID 62391631) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-[[4-[(4-methylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-[(4-methylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-1-amine
PubChem CID62391631
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-[[4-[(4-methylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-1-amine
SMILESCCCNCC1(CN2CCC(C)CC2)CCOCC1
InChIInChI=1S/C16H32N2O/c1-3-8-17-13-16(6-11-19-12-7-16)14-18-9-4-15(2)5-10-18/h15,17H,3-14H2,1-2H3
InChIKeyBNVQGAJLXFUQQR-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-[(4-propan-2-ylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-1-amine
CID 103502607
N-methyl-1-[4-[(4-methylpiperidin-1-yl)methyl]oxan-4-yl]methanamine
CID 62391983
N-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]oxan-4-yl]methyl]propan-1-amine
CID 104960649
N-[[3-(morpholin-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
CID 62263535
N-[[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methyl]propan-1-amine
CID 55066713
1-[[4-(propylaminomethyl)oxan-4-yl]methyl]pyrrolidine-3,4-diol
CID 106674033
N-[[4-[(2-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]propan-1-amine
CID 55066618
N-[[4-[(3-ethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-1-amine
CID 62391828
[4-[(4-methylpiperidin-1-yl)methyl]oxan-4-yl]methanol
CID 62391366
4-methyl-1-[[4-methyl-1-(propylaminomethyl)cyclohexyl]methyl]piperidin-4-ol
CID 81107475
N-methyl-1-[4-[(4-propylpiperidin-1-yl)methyl]oxan-4-yl]methanamine
CID 62392876
N-[[4-[(4-methoxypiperidin-1-yl)methyl]oxan-4-yl]methyl]ethanamine
CID 62390425

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-methylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-[(4-methylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-1-amine (CID 62391631) is N-[[4-[(4-methylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-[(4-methylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-[(4-methylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-1-amine is CCCNCC1(CN2CCC(C)CC2)CCOCC1.
What is the InChIKey of N-[[4-[(4-methylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-1-amine?
The InChIKey is BNVQGAJLXFUQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-3-8-17-13-16(6-11-19-12-7-16)14-18-9-4-15(2)5-10-18/h15,17H,3-14H2,1-2H3.
What are the key properties of N-[[4-[(4-methylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-1-amine?
N-[[4-[(4-methylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-1-amine 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-[[4-[(4-methylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 62391631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).