4-methyl-1-[[3-(propylaminomethyl)oxan-3-yl]methyl]piperidin-3-ol

C16H32N2O2 — CID 102967061

IUPAC4-methyl-1-[[3-(propylaminomethyl)oxan-3-yl]methyl]piperidin-3-ol
SMILESCCCNCC1(CN2CCC(C)C(O)C2)CCCOC1
InChIInChI=1S/C16H32N2O2/c1-3-7-17-11-16(6-4-9-20-13-16)12-18-8-5-14(2)15(19)10-18/h14-15,17,19H,3-13H2,1-2H3
InChIKeyZNCHVTVRRXPSCS-UHFFFAOYSA-N
MW284.44 g/mol
LogP1.49
Rot. Bonds6

About 4-methyl-1-[[3-(propylaminomethyl)oxan-3-yl]methyl]piperidin-3-ol

4-methyl-1-[[3-(propylaminomethyl)oxan-3-yl]methyl]piperidin-3-ol (PubChem CID 102967061) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 4-methyl-1-[[3-(propylaminomethyl)oxan-3-yl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name4-methyl-1-[[3-(propylaminomethyl)oxan-3-yl]methyl]piperidin-3-ol
PubChem CID102967061
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name4-methyl-1-[[3-(propylaminomethyl)oxan-3-yl]methyl]piperidin-3-ol
SMILESCCCNCC1(CN2CCC(C)C(O)C2)CCCOC1
InChIInChI=1S/C16H32N2O2/c1-3-7-17-11-16(6-4-9-20-13-16)12-18-8-5-14(2)15(19)10-18/h14-15,17,19H,3-13H2,1-2H3
InChIKeyZNCHVTVRRXPSCS-UHFFFAOYSA-N
XLogP1.49
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-methyl-1-[[3-(propylaminomethyl)oxan-3-yl]methyl]pyrrolidin-2-yl]methanol
CID 102789456
4-methyl-1-[[3-(propylaminomethyl)oxan-3-yl]methyl]piperidin-4-ol
CID 81116507
N-[[3-[[4-(methoxymethyl)piperidin-1-yl]methyl]oxan-3-yl]methyl]propan-1-amine
CID 63973563
3-methyl-1-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]piperidin-4-ol
CID 114682063
N-[[3-[(2,2,6-trimethylmorpholin-4-yl)methyl]oxan-3-yl]methyl]propan-1-amine
CID 63739810
N-[[3-[(2-methylpiperidin-1-yl)methyl]oxan-3-yl]methyl]propan-1-amine
CID 63741518
N-[[3-[(2-ethylpyrrolidin-1-yl)methyl]oxan-3-yl]methyl]propan-1-amine
CID 55242233
N-[[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)oxan-3-yl]methyl]ethanamine
CID 63741015
1-[[4-(propylaminomethyl)oxan-4-yl]methyl]pyrrolidine-3,4-diol
CID 106674033
N-[[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]oxan-3-yl]methyl]propan-1-amine
CID 83221694
1-[[1-(ethylaminomethyl)-4-methylcyclohexyl]methyl]-4-methylpiperidin-3-ol
CID 102967040
N-methyl-1-[3-[(3-methylpyrrolidin-1-yl)methyl]oxan-3-yl]methanamine
CID 63740313

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[3-(propylaminomethyl)oxan-3-yl]methyl]piperidin-3-ol?
The IUPAC name of 4-methyl-1-[[3-(propylaminomethyl)oxan-3-yl]methyl]piperidin-3-ol (CID 102967061) is 4-methyl-1-[[3-(propylaminomethyl)oxan-3-yl]methyl]piperidin-3-ol.
What is the SMILES notation for 4-methyl-1-[[3-(propylaminomethyl)oxan-3-yl]methyl]piperidin-3-ol?
The canonical SMILES for 4-methyl-1-[[3-(propylaminomethyl)oxan-3-yl]methyl]piperidin-3-ol is CCCNCC1(CN2CCC(C)C(O)C2)CCCOC1.
What is the InChIKey of 4-methyl-1-[[3-(propylaminomethyl)oxan-3-yl]methyl]piperidin-3-ol?
The InChIKey is ZNCHVTVRRXPSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-3-7-17-11-16(6-4-9-20-13-16)12-18-8-5-14(2)15(19)10-18/h14-15,17,19H,3-13H2,1-2H3.
What are the key properties of 4-methyl-1-[[3-(propylaminomethyl)oxan-3-yl]methyl]piperidin-3-ol?
4-methyl-1-[[3-(propylaminomethyl)oxan-3-yl]methyl]piperidin-3-ol has a molecular weight of 284.44 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[3-(propylaminomethyl)oxan-3-yl]methyl]piperidin-3-ol is sourced from PubChem (CID 102967061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).