(2S,6R)-1-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-2,6-dimethylpiperidine

C15H27N — CID 101081315

IUPAC(2S,6R)-1-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-2,6-dimethylpiperidine
SMILESC[C@@H]1CCC[C@H](C)N1C[C@@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C15H27N/c1-11-4-3-5-12(2)16(11)10-15-9-13-6-7-14(15)8-13/h11-15H,3-10H2,1-2H3/t11-,12+,13-,14+,15-/m0/s1
InChIKeyGJDCLYGVVJFADH-ZQNQSHIBSA-N
MW221.39 g/mol
LogP3.69
Rot. Bonds2

About (2S,6R)-1-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-2,6-dimethylpiperidine

(2S,6R)-1-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-2,6-dimethylpiperidine (PubChem CID 101081315) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is (2S,6R)-1-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-2,6-dimethylpiperidine.

Molecular Properties

Compound Name(2S,6R)-1-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-2,6-dimethylpiperidine
PubChem CID101081315
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name(2S,6R)-1-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-2,6-dimethylpiperidine
SMILESC[C@@H]1CCC[C@H](C)N1C[C@@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C15H27N/c1-11-4-3-5-12(2)16(11)10-15-9-13-6-7-14(15)8-13/h11-15H,3-10H2,1-2H3/t11-,12+,13-,14+,15-/m0/s1
InChIKeyGJDCLYGVVJFADH-ZQNQSHIBSA-N
XLogP3.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2S,6R)-1-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-2,6-dimethylpiperidine with MolForge

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Related Compounds

1-(2-bicyclo[2.2.1]heptanylmethyl)-2,6-dimethylpiperazine
CID 79558038
1-(2-bicyclo[2.2.1]heptanylmethyl)-7-methyl-3-(methylamino)azepan-2-one
CID 22985300
(2R)-1-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethoxy]-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-2-ol
CID 124853179
1-(2-bicyclo[2.2.1]heptanylmethyl)-4,6-dimethyl-1,5-diazocane
CID 63687029
(1S,2S,4S)-2-(bromomethyl)bicyclo[2.2.1]heptane
CID 12625652
(1S,2S,4R)-2-ethylbicyclo[2.2.1]heptane
CID 124524751
1-(2-bicyclo[2.2.1]heptanylmethyl)-3,7-dimethyl-1,5-diazocane
CID 63684288
N-(2-bicyclo[2.2.1]heptanylmethyl)cyclobutanamine
CID 63689763
(1S,2S,4R)-2-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane
CID 54589598
2-ethylbicyclo[2.2.1]heptane;methane
CID 169189353
1-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]pyrrolidine-2,5-dione
CID 98186318
1-(2-bicyclo[2.2.1]heptanylmethyl)azetidin-3-amine
CID 79558497

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-1-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-2,6-dimethylpiperidine?
The IUPAC name of (2S,6R)-1-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-2,6-dimethylpiperidine (CID 101081315) is (2S,6R)-1-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-2,6-dimethylpiperidine.
What is the SMILES notation for (2S,6R)-1-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-2,6-dimethylpiperidine?
The canonical SMILES for (2S,6R)-1-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-2,6-dimethylpiperidine is C[C@@H]1CCC[C@H](C)N1C[C@@H]1C[C@H]2CC[C@@H]1C2.
What is the InChIKey of (2S,6R)-1-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-2,6-dimethylpiperidine?
The InChIKey is GJDCLYGVVJFADH-ZQNQSHIBSA-N. The full InChI is InChI=1S/C15H27N/c1-11-4-3-5-12(2)16(11)10-15-9-13-6-7-14(15)8-13/h11-15H,3-10H2,1-2H3/t11-,12+,13-,14+,15-/m0/s1.
What are the key properties of (2S,6R)-1-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-2,6-dimethylpiperidine?
(2S,6R)-1-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-2,6-dimethylpiperidine has a molecular weight of 221.39 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-1-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-2,6-dimethylpiperidine is sourced from PubChem (CID 101081315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).