[1-(3-amino-4-methoxy-4-methylpentyl)piperidin-2-yl]methanol

C13H28N2O2 — CID 114229114

IUPAC[1-(3-amino-4-methoxy-4-methylpentyl)piperidin-2-yl]methanol
SMILESCOC(C)(C)C(N)CCN1CCCCC1CO
InChIInChI=1S/C13H28N2O2/c1-13(2,17-3)12(14)7-9-15-8-5-4-6-11(15)10-16/h11-12,16H,4-10,14H2,1-3H3
InChIKeyORYXOUNGJCFPRJ-UHFFFAOYSA-N
MW244.38 g/mol
LogP0.98
Rot. Bonds6

About [1-(3-amino-4-methoxy-4-methylpentyl)piperidin-2-yl]methanol

[1-(3-amino-4-methoxy-4-methylpentyl)piperidin-2-yl]methanol (PubChem CID 114229114) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is [1-(3-amino-4-methoxy-4-methylpentyl)piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(3-amino-4-methoxy-4-methylpentyl)piperidin-2-yl]methanol
PubChem CID114229114
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name[1-(3-amino-4-methoxy-4-methylpentyl)piperidin-2-yl]methanol
SMILESCOC(C)(C)C(N)CCN1CCCCC1CO
InChIInChI=1S/C13H28N2O2/c1-13(2,17-3)12(14)7-9-15-8-5-4-6-11(15)10-16/h11-12,16H,4-10,14H2,1-3H3
InChIKeyORYXOUNGJCFPRJ-UHFFFAOYSA-N
XLogP0.98
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethylazepan-1-yl)-4-methoxy-4-methylpentan-3-amine
CID 114229188
[(2R)-1-(3-methoxy-3-methylbutyl)pyrrolidin-2-yl]methanol
CID 102977101
4-[2-(hydroxymethyl)azepan-1-yl]butan-2-ol
CID 116636768
N'-hydroxy-4-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylbutanimidamide
CID 77062920
1-(2-ethylpiperidin-1-yl)-4-methoxy-N,4-dimethylpentan-3-amine
CID 114229053
4-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylbutanenitrile
CID 65251751
[1-[2-(tert-butylamino)ethyl]piperidin-2-yl]methanol
CID 61407164
[1-[2-(propan-2-ylamino)ethyl]azepan-2-yl]methanol
CID 116637148
[(2S)-1-(2-propan-2-yloxyethyl)piperidin-2-yl]methanol
CID 175634207
[1-(5-chloro-3-methylpentyl)azepan-2-yl]methanol
CID 116637118
[1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]methanol
CID 61355562
[1-[4,4-dimethyl-3-(propylamino)pentyl]azepan-2-yl]methanol
CID 116638141

Frequently Asked Questions

What is the IUPAC name of [1-(3-amino-4-methoxy-4-methylpentyl)piperidin-2-yl]methanol?
The IUPAC name of [1-(3-amino-4-methoxy-4-methylpentyl)piperidin-2-yl]methanol (CID 114229114) is [1-(3-amino-4-methoxy-4-methylpentyl)piperidin-2-yl]methanol.
What is the SMILES notation for [1-(3-amino-4-methoxy-4-methylpentyl)piperidin-2-yl]methanol?
The canonical SMILES for [1-(3-amino-4-methoxy-4-methylpentyl)piperidin-2-yl]methanol is COC(C)(C)C(N)CCN1CCCCC1CO.
What is the InChIKey of [1-(3-amino-4-methoxy-4-methylpentyl)piperidin-2-yl]methanol?
The InChIKey is ORYXOUNGJCFPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-13(2,17-3)12(14)7-9-15-8-5-4-6-11(15)10-16/h11-12,16H,4-10,14H2,1-3H3.
What are the key properties of [1-(3-amino-4-methoxy-4-methylpentyl)piperidin-2-yl]methanol?
[1-(3-amino-4-methoxy-4-methylpentyl)piperidin-2-yl]methanol has a molecular weight of 244.38 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-amino-4-methoxy-4-methylpentyl)piperidin-2-yl]methanol is sourced from PubChem (CID 114229114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).