4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-methoxybutan-1-amine

C12H26N2O — CID 103152801

IUPAC4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-methoxybutan-1-amine
SMILESCOC(CN)CCN1[C@H](C)CCC[C@@H]1C
InChIInChI=1S/C12H26N2O/c1-10-5-4-6-11(2)14(10)8-7-12(9-13)15-3/h10-12H,4-9,13H2,1-3H3/t10-,11+,12?
InChIKeyRPJRVFWGGADKCK-FOSCPWQOSA-N
MW214.35 g/mol
LogP1.61
Rot. Bonds5

About 4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-methoxybutan-1-amine

4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-methoxybutan-1-amine (PubChem CID 103152801) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-methoxybutan-1-amine.

Molecular Properties

Compound Name4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-methoxybutan-1-amine
PubChem CID103152801
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-methoxybutan-1-amine
SMILESCOC(CN)CCN1[C@H](C)CCC[C@@H]1C
InChIInChI=1S/C12H26N2O/c1-10-5-4-6-11(2)14(10)8-7-12(9-13)15-3/h10-12H,4-9,13H2,1-3H3/t10-,11+,12?
InChIKeyRPJRVFWGGADKCK-FOSCPWQOSA-N
XLogP1.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methoxybutan-1-amine
CID 103152610
4-(3,4-dimethoxypyrrolidin-1-yl)-2-methoxybutan-1-amine
CID 103534891
4-(2-ethylpyrrolidin-1-yl)-2-methoxybutan-1-amine
CID 103152222
2-methoxy-4-(3-methylthiomorpholin-4-yl)butan-1-amine
CID 103152569
2-methoxy-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 106114423
2-methoxy-4-(3-methoxypyrrolidin-1-yl)butan-1-amine
CID 103534710
3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-amine
CID 7176132
2,5-dimethoxyhexane-1,6-diamine
CID 141495487
4-(4-ethyl-3-methylpiperazin-1-yl)-2-methoxybutan-1-amine
CID 103152536
4-cyclopropyl-2-methoxybutan-1-amine
CID 130967935
4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-methoxybutan-1-amine
CID 103152342
2-amino-4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butanoic acid
CID 104968699

Frequently Asked Questions

What is the IUPAC name of 4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-methoxybutan-1-amine?
The IUPAC name of 4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-methoxybutan-1-amine (CID 103152801) is 4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-methoxybutan-1-amine.
What is the SMILES notation for 4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-methoxybutan-1-amine?
The canonical SMILES for 4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-methoxybutan-1-amine is COC(CN)CCN1[C@H](C)CCC[C@@H]1C.
What is the InChIKey of 4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-methoxybutan-1-amine?
The InChIKey is RPJRVFWGGADKCK-FOSCPWQOSA-N. The full InChI is InChI=1S/C12H26N2O/c1-10-5-4-6-11(2)14(10)8-7-12(9-13)15-3/h10-12H,4-9,13H2,1-3H3/t10-,11+,12?.
What are the key properties of 4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-methoxybutan-1-amine?
4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-methoxybutan-1-amine has a molecular weight of 214.35 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-methoxybutan-1-amine is sourced from PubChem (CID 103152801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).