3-methyl-2-[(1,2,5-trimethylpiperidin-4-yl)amino]butan-1-ol

C13H28N2O — CID 79254544

IUPAC3-methyl-2-[(1,2,5-trimethylpiperidin-4-yl)amino]butan-1-ol
SMILESCC(C)C(CO)NC1CC(C)N(C)CC1C
InChIInChI=1S/C13H28N2O/c1-9(2)13(8-16)14-12-6-11(4)15(5)7-10(12)3/h9-14,16H,6-8H2,1-5H3
InChIKeyBHBIQUDIUIQFKC-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.32
Rot. Bonds4

About 3-methyl-2-[(1,2,5-trimethylpiperidin-4-yl)amino]butan-1-ol

3-methyl-2-[(1,2,5-trimethylpiperidin-4-yl)amino]butan-1-ol (PubChem CID 79254544) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 3-methyl-2-[(1,2,5-trimethylpiperidin-4-yl)amino]butan-1-ol.

Molecular Properties

Compound Name3-methyl-2-[(1,2,5-trimethylpiperidin-4-yl)amino]butan-1-ol
PubChem CID79254544
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name3-methyl-2-[(1,2,5-trimethylpiperidin-4-yl)amino]butan-1-ol
SMILESCC(C)C(CO)NC1CC(C)N(C)CC1C
InChIInChI=1S/C13H28N2O/c1-9(2)13(8-16)14-12-6-11(4)15(5)7-10(12)3/h9-14,16H,6-8H2,1-5H3
InChIKeyBHBIQUDIUIQFKC-UHFFFAOYSA-N
XLogP1.32
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-methyl-2-[(1,2,5-trimethylpiperidin-4-yl)amino]butan-1-ol with MolForge

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Related Compounds

(2R)-2-[[(2R,4R,5S)-1,2,5-trimethylpiperidin-4-yl]amino]propan-1-ol
CID 124526611
(2R,4R,5R)-1,2,5-trimethyl-N-propan-2-ylpiperidin-4-amine
CID 93258428
tert-butyl N-[3-methyl-2-[(1,2,5-trimethylpiperidin-4-yl)amino]butyl]carbamate
CID 107254053
1,2,5-trimethyl-N-(5-methylhexan-2-yl)piperidin-4-amine
CID 43665462
(2S)-2-[(2,5-dimethylcyclohexyl)amino]-3-methylbutan-1-ol
CID 79253771
(2S)-1-[(1,2,5-trimethylpiperidin-4-yl)amino]propan-2-ol
CID 103906573
(2S)-1-[[(2R,4R,5S)-1,2,5-trimethylpiperidin-4-yl]amino]propan-2-ol
CID 124526610
2-[[(2R,4S,5R)-1,2,5-trimethylpiperidin-4-yl]amino]ethanol
CID 93258534
N-[1-(4-ethylphenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine
CID 43684158
N-(1-cyclohexylethyl)-1,2,5-trimethylpiperidin-4-amine
CID 55069404
N-[1-(4-chlorophenyl)propan-2-yl]-1,2,5-trimethylpiperidin-4-amine
CID 43677752
N-tert-butyl-2-[(1,2,5-trimethylpiperidin-4-yl)amino]propanamide
CID 112700338

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(1,2,5-trimethylpiperidin-4-yl)amino]butan-1-ol?
The IUPAC name of 3-methyl-2-[(1,2,5-trimethylpiperidin-4-yl)amino]butan-1-ol (CID 79254544) is 3-methyl-2-[(1,2,5-trimethylpiperidin-4-yl)amino]butan-1-ol.
What is the SMILES notation for 3-methyl-2-[(1,2,5-trimethylpiperidin-4-yl)amino]butan-1-ol?
The canonical SMILES for 3-methyl-2-[(1,2,5-trimethylpiperidin-4-yl)amino]butan-1-ol is CC(C)C(CO)NC1CC(C)N(C)CC1C.
What is the InChIKey of 3-methyl-2-[(1,2,5-trimethylpiperidin-4-yl)amino]butan-1-ol?
The InChIKey is BHBIQUDIUIQFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-9(2)13(8-16)14-12-6-11(4)15(5)7-10(12)3/h9-14,16H,6-8H2,1-5H3.
What are the key properties of 3-methyl-2-[(1,2,5-trimethylpiperidin-4-yl)amino]butan-1-ol?
3-methyl-2-[(1,2,5-trimethylpiperidin-4-yl)amino]butan-1-ol has a molecular weight of 228.38 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(1,2,5-trimethylpiperidin-4-yl)amino]butan-1-ol is sourced from PubChem (CID 79254544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).