(1R)-2-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.1]heptane;6-azabicyclo[3.1.1]heptane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;(2R,5S)-2,5-dimethylpiperidine

C39H74N6 — CID 158369855

IUPAC(1R)-2-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.1]heptane;6-azabicyclo[3.1.1]heptane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;(2R,5S)-2,5-dimethylpiperidine
SMILESC1CC2CC(C1)N2.C1CC2CC1CN2.C1CC2CCC(C1)N2.C1CC2CNCC1C2.C1C[C@@H]2CC1CN2.C[C@H]1CC[C@@H](C)NC1
InChIInChI=1S/2C7H13N.C7H15N.3C6H11N/c1-2-7-3-6(1)4-8-5-7;1-2-6-4-5-7(3-1)8-6;1-6-3-4-7(2)8-5-6;2*1-2-6-3-5(1)4-7-6;1-2-5-4-6(3-1)7-5/h2*6-8H,1-5H2;6-8H,3-5H2,1-2H3;3*5-7H,1-4H2/t;;6-,7+;5?,6-;;/m..01../s1
InChIKeyGULZVDHLKLLKLP-CJJBJKMMSA-N
MW627.06 g/mol
LogP6.11
Rot. Bonds

About (1R)-2-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.1]heptane;6-azabicyclo[3.1.1]heptane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;(2R,5S)-2,5-dimethylpiperidine

(1R)-2-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.1]heptane;6-azabicyclo[3.1.1]heptane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;(2R,5S)-2,5-dimethylpiperidine (PubChem CID 158369855) has the molecular formula C39H74N6 and a molecular weight of 627.06 g/mol. Its IUPAC name is (1R)-2-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.1]heptane;6-azabicyclo[3.1.1]heptane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;(2R,5S)-2,5-dimethylpiperidine.

Molecular Properties

Compound Name(1R)-2-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.1]heptane;6-azabicyclo[3.1.1]heptane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;(2R,5S)-2,5-dimethylpiperidine
PubChem CID158369855
Molecular FormulaC39H74N6
Molecular Weight627.06 g/mol
Exact Mass626.60
IUPAC Name(1R)-2-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.1]heptane;6-azabicyclo[3.1.1]heptane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;(2R,5S)-2,5-dimethylpiperidine
SMILESC1CC2CC(C1)N2.C1CC2CC1CN2.C1CC2CCC(C1)N2.C1CC2CNCC1C2.C1C[C@@H]2CC1CN2.C[C@H]1CC[C@@H](C)NC1
InChIInChI=1S/2C7H13N.C7H15N.3C6H11N/c1-2-7-3-6(1)4-8-5-7;1-2-6-4-5-7(3-1)8-6;1-6-3-4-7(2)8-5-6;2*1-2-6-3-5(1)4-7-6;1-2-5-4-6(3-1)7-5/h2*6-8H,1-5H2;6-8H,3-5H2,1-2H3;3*5-7H,1-4H2/t;;6-,7+;5?,6-;;/m..01../s1
InChIKeyGULZVDHLKLLKLP-CJJBJKMMSA-N
XLogP6.11
TPSA72.18 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms45
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500627.06
LogP ≤ 56.11
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze (1R)-2-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.1]heptane;6-azabicyclo[3.1.1]heptane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;(2R,5S)-2,5-dimethylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Azabicyclo[3.1.1]heptane;6-azabicyclo[3.1.1]heptane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;2,5-diazabicyclo[2.2.1]heptane;methane
CID 157489779
3-Azabicyclo[3.1.1]heptane;6-azabicyclo[3.1.1]heptane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;2,5-diazabicyclo[2.2.1]heptane
CID 158601278
(1R,4S)-2-azabicyclo[2.2.1]heptane;(1S,5R)-6-azabicyclo[3.1.1]heptane;3-azabicyclo[3.1.1]heptane;2,5-diazabicyclo[2.2.2]octane;bis(3,8-diazabicyclo[3.2.1]octane);methane
CID 159208821
1,3-dimethylpiperazine;2-methyl-2-azabicyclo[2.2.1]heptan-5-amine;2-methyl-2-azabicyclo[2.2.2]octan-5-amine;3-methyl-3-azabicyclo[3.2.1]octan-6-amine;(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine;1-methylazetidin-3-amine;6-methyl-6,8-diazabicyclo[3.2.2]nonane;4-methyl-1,4-diazabicyclo[3.2.1]octane;1-methylpiperazine;1-methylpiperidin-3-amine;1-methylpiperidin-4-amine;(1-methylpiperidin-3-yl)methanamine;(1-methylpiperidin-4-yl)methanamine;1,3,5-trimethylpiperazine
CID 159415765
2,6-Dimethyl-2-azabicyclo[2.2.1]heptane;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;3-methyl-1-azabicyclo[2.2.1]heptane;6-methyl-1-azabicyclo[3.2.1]octane;3-methylazetidine
CID 160435505
(1R,4S)-2-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.1]heptane;6-azabicyclo[3.1.1]heptane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;3-methyl-3,9-diazaspiro[5.5]undecane
CID 162190192
Bis(2-tert-butyl-2-azabicyclo[2.2.1]heptane);3-tert-butyl-3-azabicyclo[3.1.1]heptane;bis(2-tert-butyl-2-azabicyclo[2.2.2]octane);3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;ethane
CID 167619112
Bis(2-tert-butyl-2-azabicyclo[2.2.1]heptane);3-tert-butyl-3-azabicyclo[3.1.1]heptane;2-tert-butyl-2-azabicyclo[2.2.2]octane;3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;ethane;2-propan-2-yl-2-azabicyclo[2.2.2]octane
CID 167664587

Frequently Asked Questions

What is the IUPAC name of (1R)-2-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.1]heptane;6-azabicyclo[3.1.1]heptane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;(2R,5S)-2,5-dimethylpiperidine?
The IUPAC name of (1R)-2-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.1]heptane;6-azabicyclo[3.1.1]heptane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;(2R,5S)-2,5-dimethylpiperidine (CID 158369855) is (1R)-2-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.1]heptane;6-azabicyclo[3.1.1]heptane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;(2R,5S)-2,5-dimethylpiperidine.
What is the SMILES notation for (1R)-2-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.1]heptane;6-azabicyclo[3.1.1]heptane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;(2R,5S)-2,5-dimethylpiperidine?
The canonical SMILES for (1R)-2-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.1]heptane;6-azabicyclo[3.1.1]heptane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;(2R,5S)-2,5-dimethylpiperidine is C1CC2CC(C1)N2.C1CC2CC1CN2.C1CC2CCC(C1)N2.C1CC2CNCC1C2.C1C[C@@H]2CC1CN2.C[C@H]1CC[C@@H](C)NC1.
What is the InChIKey of (1R)-2-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.1]heptane;6-azabicyclo[3.1.1]heptane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;(2R,5S)-2,5-dimethylpiperidine?
The InChIKey is GULZVDHLKLLKLP-CJJBJKMMSA-N. The full InChI is InChI=1S/2C7H13N.C7H15N.3C6H11N/c1-2-7-3-6(1)4-8-5-7;1-2-6-4-5-7(3-1)8-6;1-6-3-4-7(2)8-5-6;2*1-2-6-3-5(1)4-7-6;1-2-5-4-6(3-1)7-5/h2*6-8H,1-5H2;6-8H,3-5H2,1-2H3;3*5-7H,1-4H2/t;;6-,7+;5?,6-;;/m..01../s1.
What are the key properties of (1R)-2-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.1]heptane;6-azabicyclo[3.1.1]heptane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;(2R,5S)-2,5-dimethylpiperidine?
(1R)-2-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.1]heptane;6-azabicyclo[3.1.1]heptane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;(2R,5S)-2,5-dimethylpiperidine has a molecular weight of 627.06 g/mol, XLogP of 6.11, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.1]heptane;6-azabicyclo[3.1.1]heptane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;(2R,5S)-2,5-dimethylpiperidine is sourced from PubChem (CID 158369855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).