3-methyl-1-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]piperidin-4-ol

C16H32N2O2 — CID 114682037

IUPAC3-methyl-1-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]piperidin-4-ol
SMILESCC(C)NCC1(CN2CCC(O)C(C)C2)CCOCC1
InChIInChI=1S/C16H32N2O2/c1-13(2)17-11-16(5-8-20-9-6-16)12-18-7-4-15(19)14(3)10-18/h13-15,17,19H,4-12H2,1-3H3
InChIKeyRUIFTNWPMJOAMM-UHFFFAOYSA-N
MW284.44 g/mol
LogP1.48
Rot. Bonds5

About 3-methyl-1-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]piperidin-4-ol

3-methyl-1-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]piperidin-4-ol (PubChem CID 114682037) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 3-methyl-1-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name3-methyl-1-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]piperidin-4-ol
PubChem CID114682037
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name3-methyl-1-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]piperidin-4-ol
SMILESCC(C)NCC1(CN2CCC(O)C(C)C2)CCOCC1
InChIInChI=1S/C16H32N2O2/c1-13(2)17-11-16(5-8-20-9-6-16)12-18-7-4-15(19)14(3)10-18/h13-15,17,19H,4-12H2,1-3H3
InChIKeyRUIFTNWPMJOAMM-UHFFFAOYSA-N
XLogP1.48
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-methyl-1-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]piperidin-4-ol with MolForge

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Related Compounds

3-methyl-1-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]piperidin-4-ol
CID 114682063
N-[[4-[(3-methylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine
CID 55066136
3-methyl-1-[[1-(methylaminomethyl)cyclopentyl]methyl]piperidin-4-ol
CID 114682011
N-[[4-[(4-cyclopropylpiperazin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine
CID 62392915
1-[[4-(aminomethyl)oxan-4-yl]methyl]-4-methylpiperidin-3-ol
CID 102967050
N-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 55249798
[1-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]pyrrolidin-3-yl]methanol
CID 112628956
1-[[1-(ethylaminomethyl)-4-methylcyclohexyl]methyl]-3-methylpiperidin-4-ol
CID 114682040
N-[[3-[(4-propylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 62258098
2-[1-[[4-methyl-1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]pyrrolidin-3-yl]ethanol
CID 114800043
N-[[1-[(3-ethylpyrrolidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine
CID 113418866
N-[[4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine
CID 107395205

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]piperidin-4-ol?
The IUPAC name of 3-methyl-1-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]piperidin-4-ol (CID 114682037) is 3-methyl-1-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 3-methyl-1-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]piperidin-4-ol?
The canonical SMILES for 3-methyl-1-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]piperidin-4-ol is CC(C)NCC1(CN2CCC(O)C(C)C2)CCOCC1.
What is the InChIKey of 3-methyl-1-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]piperidin-4-ol?
The InChIKey is RUIFTNWPMJOAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-13(2)17-11-16(5-8-20-9-6-16)12-18-7-4-15(19)14(3)10-18/h13-15,17,19H,4-12H2,1-3H3.
What are the key properties of 3-methyl-1-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]piperidin-4-ol?
3-methyl-1-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]piperidin-4-ol has a molecular weight of 284.44 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 114682037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).