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

C16H32N2O2 — CID 81116507

IUPAC4-methyl-1-[[3-(propylaminomethyl)oxan-3-yl]methyl]piperidin-4-ol
SMILESCCCNCC1(CN2CCC(C)(O)CC2)CCCOC1
InChIInChI=1S/C16H32N2O2/c1-3-8-17-12-16(5-4-11-20-14-16)13-18-9-6-15(2,19)7-10-18/h17,19H,3-14H2,1-2H3
InChIKeyPLPHNSSKQAULHJ-UHFFFAOYSA-N
MW284.44 g/mol
LogP1.63
Rot. Bonds6

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

4-methyl-1-[[3-(propylaminomethyl)oxan-3-yl]methyl]piperidin-4-ol (PubChem CID 81116507) 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-4-ol.

Molecular Properties

Compound Name4-methyl-1-[[3-(propylaminomethyl)oxan-3-yl]methyl]piperidin-4-ol
PubChem CID81116507
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name4-methyl-1-[[3-(propylaminomethyl)oxan-3-yl]methyl]piperidin-4-ol
SMILESCCCNCC1(CN2CCC(C)(O)CC2)CCCOC1
InChIInChI=1S/C16H32N2O2/c1-3-8-17-12-16(5-4-11-20-14-16)13-18-9-6-15(2,19)7-10-18/h17,19H,3-14H2,1-2H3
InChIKeyPLPHNSSKQAULHJ-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
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

4-methyl-1-[[3-(propylaminomethyl)oxolan-3-yl]methyl]piperidin-4-ol
CID 81115170
N-[[3-(morpholin-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
CID 62263535
N-[[3-[[4-(methoxymethyl)piperidin-1-yl]methyl]oxan-3-yl]methyl]propan-1-amine
CID 63973563
4-methyl-1-[[3-(propylaminomethyl)oxan-3-yl]methyl]piperidin-3-ol
CID 102967061
N-[[3-[(2,2,6-trimethylmorpholin-4-yl)methyl]oxan-3-yl]methyl]propan-1-amine
CID 63739810
N-[[3-[(4-methyl-1,4-diazepan-1-yl)methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62261750
N-[[3-(morpholin-4-ylmethyl)oxan-3-yl]methyl]ethanamine
CID 63740455
4-methyl-1-[[4-methyl-1-(propylaminomethyl)cyclohexyl]methyl]piperidin-4-ol
CID 81107475
N-[[3-[(4-ethylpiperazin-1-yl)methyl]oxan-3-yl]methyl]ethanamine
CID 63741871
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
[3-methyl-1-[[3-(propylaminomethyl)oxan-3-yl]methyl]pyrrolidin-2-yl]methanol
CID 102789456

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[3-(propylaminomethyl)oxan-3-yl]methyl]piperidin-4-ol?
The IUPAC name of 4-methyl-1-[[3-(propylaminomethyl)oxan-3-yl]methyl]piperidin-4-ol (CID 81116507) is 4-methyl-1-[[3-(propylaminomethyl)oxan-3-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 4-methyl-1-[[3-(propylaminomethyl)oxan-3-yl]methyl]piperidin-4-ol?
The canonical SMILES for 4-methyl-1-[[3-(propylaminomethyl)oxan-3-yl]methyl]piperidin-4-ol is CCCNCC1(CN2CCC(C)(O)CC2)CCCOC1.
What is the InChIKey of 4-methyl-1-[[3-(propylaminomethyl)oxan-3-yl]methyl]piperidin-4-ol?
The InChIKey is PLPHNSSKQAULHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-3-8-17-12-16(5-4-11-20-14-16)13-18-9-6-15(2,19)7-10-18/h17,19H,3-14H2,1-2H3.
What are the key properties of 4-methyl-1-[[3-(propylaminomethyl)oxan-3-yl]methyl]piperidin-4-ol?
4-methyl-1-[[3-(propylaminomethyl)oxan-3-yl]methyl]piperidin-4-ol has a molecular weight of 284.44 g/mol, XLogP of 1.63, 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-4-ol is sourced from PubChem (CID 81116507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).