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

C15H30N2O2 — CID 81115170

IUPAC4-methyl-1-[[3-(propylaminomethyl)oxolan-3-yl]methyl]piperidin-4-ol
SMILESCCCNCC1(CN2CCC(C)(O)CC2)CCOC1
InChIInChI=1S/C15H30N2O2/c1-3-7-16-11-15(6-10-19-13-15)12-17-8-4-14(2,18)5-9-17/h16,18H,3-13H2,1-2H3
InChIKeyRTHHNQRMMJTGOB-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.24
Rot. Bonds6

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

4-methyl-1-[[3-(propylaminomethyl)oxolan-3-yl]methyl]piperidin-4-ol (PubChem CID 81115170) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 4-methyl-1-[[3-(propylaminomethyl)oxolan-3-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-methyl-1-[[3-(propylaminomethyl)oxolan-3-yl]methyl]piperidin-4-ol
PubChem CID81115170
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name4-methyl-1-[[3-(propylaminomethyl)oxolan-3-yl]methyl]piperidin-4-ol
SMILESCCCNCC1(CN2CCC(C)(O)CC2)CCOC1
InChIInChI=1S/C15H30N2O2/c1-3-7-16-11-15(6-10-19-13-15)12-17-8-4-14(2,18)5-9-17/h16,18H,3-13H2,1-2H3
InChIKeyRTHHNQRMMJTGOB-UHFFFAOYSA-N
XLogP1.24
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.24
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)oxan-3-yl]methyl]piperidin-4-ol
CID 81116507
N-[[3-(morpholin-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
CID 62263535
N-[[3-[(4-methyl-1,4-diazepan-1-yl)methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62261750
4-methyl-1-[[4-methyl-1-(propylaminomethyl)cyclohexyl]methyl]piperidin-4-ol
CID 81107475
3-methyl-1-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]pyrrolidin-3-ol
CID 103358497
N-[[4-[(4-methylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-1-amine
CID 62391631
N-[[3-(8-azaspiro[4.5]decan-8-ylmethyl)oxolan-3-yl]methyl]ethanamine
CID 63159734
N-[[3-[[4-(methoxymethyl)piperidin-1-yl]methyl]oxan-3-yl]methyl]propan-1-amine
CID 63973563
N-[[4-[(4-propan-2-ylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-1-amine
CID 103502607
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-[[3-(oxan-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
CID 62718347

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[3-(propylaminomethyl)oxolan-3-yl]methyl]piperidin-4-ol?
The IUPAC name of 4-methyl-1-[[3-(propylaminomethyl)oxolan-3-yl]methyl]piperidin-4-ol (CID 81115170) is 4-methyl-1-[[3-(propylaminomethyl)oxolan-3-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 4-methyl-1-[[3-(propylaminomethyl)oxolan-3-yl]methyl]piperidin-4-ol?
The canonical SMILES for 4-methyl-1-[[3-(propylaminomethyl)oxolan-3-yl]methyl]piperidin-4-ol is CCCNCC1(CN2CCC(C)(O)CC2)CCOC1.
What is the InChIKey of 4-methyl-1-[[3-(propylaminomethyl)oxolan-3-yl]methyl]piperidin-4-ol?
The InChIKey is RTHHNQRMMJTGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-3-7-16-11-15(6-10-19-13-15)12-17-8-4-14(2,18)5-9-17/h16,18H,3-13H2,1-2H3.
What are the key properties of 4-methyl-1-[[3-(propylaminomethyl)oxolan-3-yl]methyl]piperidin-4-ol?
4-methyl-1-[[3-(propylaminomethyl)oxolan-3-yl]methyl]piperidin-4-ol has a molecular weight of 270.42 g/mol, XLogP of 1.24, 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)oxolan-3-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 81115170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).