4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-methylbutan-1-amine

C12H26N2 — CID 104967716

IUPAC4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-methylbutan-1-amine
SMILESCC(CCN)CN1[C@H](C)CCC[C@@H]1C
InChIInChI=1S/C12H26N2/c1-10(7-8-13)9-14-11(2)5-4-6-12(14)3/h10-12H,4-9,13H2,1-3H3/t10?,11-,12+
InChIKeyZZCUMELVCLDWLH-YOGCLGLASA-N
MW198.35 g/mol
LogP2.23
Rot. Bonds4

About 4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-methylbutan-1-amine

4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-methylbutan-1-amine (PubChem CID 104967716) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-methylbutan-1-amine
PubChem CID104967716
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-methylbutan-1-amine
SMILESCC(CCN)CN1[C@H](C)CCC[C@@H]1C
InChIInChI=1S/C12H26N2/c1-10(7-8-13)9-14-11(2)5-4-6-12(14)3/h10-12H,4-9,13H2,1-3H3/t10?,11-,12+
InChIKeyZZCUMELVCLDWLH-YOGCLGLASA-N
XLogP2.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-methylbutan-1-amine?
The IUPAC name of 4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-methylbutan-1-amine (CID 104967716) is 4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-methylbutan-1-amine.
What is the SMILES notation for 4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-methylbutan-1-amine?
The canonical SMILES for 4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-methylbutan-1-amine is CC(CCN)CN1[C@H](C)CCC[C@@H]1C.
What is the InChIKey of 4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-methylbutan-1-amine?
The InChIKey is ZZCUMELVCLDWLH-YOGCLGLASA-N. The full InChI is InChI=1S/C12H26N2/c1-10(7-8-13)9-14-11(2)5-4-6-12(14)3/h10-12H,4-9,13H2,1-3H3/t10?,11-,12+.
What are the key properties of 4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-methylbutan-1-amine?
4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-methylbutan-1-amine has a molecular weight of 198.35 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-methylbutan-1-amine is sourced from PubChem (CID 104967716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).