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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Related Compounds

1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-methylbutan-2-amine
CID 104967185
N-[3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methylpropyl]cyclopropanamine
CID 104968404
3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-amine
CID 7176132
(2S)-1-(2,6-dimethylpiperidin-1-yl)propan-2-ol
CID 103934908
(2S)-1-amino-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol
CID 130492440
3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-ethyl-2-methylpropan-1-amine
CID 104967675
2-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]butan-1-amine
CID 104967794
(2R,6S)-2,6-dimethyl-1-(2-methyl-3-phenylpropyl)piperidine
CID 70416000
3-methyl-4-(4-propan-2-ylpiperidin-1-yl)butan-1-amine
CID 103497335
(1-heptyl-6-methylpiperidin-2-yl)methanamine
CID 63554513
4-(2-ethylpyrrolidin-1-yl)-3-methylbutan-1-amine
CID 80544432
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-3-methylbutan-1-amine
CID 80544084

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).