1,4-dimethylpiperidine;methane;trans-(1R,4S)-2,4-dimethyl-1-propan-2-ylcyclohexane;trans-(1S,4R)-2,4-dimethyl-1-propan-2-ylcyclohexane

C31H67N — CID 161317784

IUPAC1,4-dimethylpiperidine;methane;trans-(1R,4S)-2,4-dimethyl-1-propan-2-ylcyclohexane;trans-(1S,4R)-2,4-dimethyl-1-propan-2-ylcyclohexane
SMILESC.C.CC(C)[C@@H]1CC[C@@H](C)CC1C.CC(C)[C@H]1CC[C@H](C)CC1C.CC1CCN(C)CC1
InChIInChI=1S/2C11H22.C7H15N.2CH4/c2*1-8(2)11-6-5-9(3)7-10(11)4;1-7-3-5-8(2)6-4-7;;/h2*8-11H,5-7H2,1-4H3;7H,3-6H2,1-2H3;2*1H4/t2*9-,10?,11+;;;/m10.../s1
InChIKeyVJSQZXVYRXWREE-OYOSAABPSA-N
MW453.88 g/mol
LogP10.05
Rot. Bonds2

About 1,4-dimethylpiperidine;methane;trans-(1R,4S)-2,4-dimethyl-1-propan-2-ylcyclohexane;trans-(1S,4R)-2,4-dimethyl-1-propan-2-ylcyclohexane

1,4-dimethylpiperidine;methane;trans-(1R,4S)-2,4-dimethyl-1-propan-2-ylcyclohexane;trans-(1S,4R)-2,4-dimethyl-1-propan-2-ylcyclohexane (PubChem CID 161317784) has the molecular formula C31H67N and a molecular weight of 453.88 g/mol. Its IUPAC name is 1,4-dimethylpiperidine;methane;trans-(1R,4S)-2,4-dimethyl-1-propan-2-ylcyclohexane;trans-(1S,4R)-2,4-dimethyl-1-propan-2-ylcyclohexane.

Molecular Properties

Compound Name1,4-dimethylpiperidine;methane;trans-(1R,4S)-2,4-dimethyl-1-propan-2-ylcyclohexane;trans-(1S,4R)-2,4-dimethyl-1-propan-2-ylcyclohexane
PubChem CID161317784
Molecular FormulaC31H67N
Molecular Weight453.88 g/mol
Exact Mass453.53
IUPAC Name1,4-dimethylpiperidine;methane;trans-(1R,4S)-2,4-dimethyl-1-propan-2-ylcyclohexane;trans-(1S,4R)-2,4-dimethyl-1-propan-2-ylcyclohexane
SMILESC.C.CC(C)[C@@H]1CC[C@@H](C)CC1C.CC(C)[C@H]1CC[C@H](C)CC1C.CC1CCN(C)CC1
InChIInChI=1S/2C11H22.C7H15N.2CH4/c2*1-8(2)11-6-5-9(3)7-10(11)4;1-7-3-5-8(2)6-4-7;;/h2*8-11H,5-7H2,1-4H3;7H,3-6H2,1-2H3;2*1H4/t2*9-,10?,11+;;;/m10.../s1
InChIKeyVJSQZXVYRXWREE-OYOSAABPSA-N
XLogP10.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.88
LogP ≤ 510.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,4-dimethylpiperidine;methane;trans-(1R,4S)-2,4-dimethyl-1-propan-2-ylcyclohexane;trans-(1S,4R)-2,4-dimethyl-1-propan-2-ylcyclohexane with MolForge

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Related Compounds

2,4-dimethyl-1-propan-2-ylcyclohexane;propane
CID 143365202
1,3-dimethyl-N-(5-methyl-2-propan-2-ylcyclohexyl)piperidin-4-amine
CID 115720105
1,5,8,11-tetramethyl-1,5-diazacyclotridecane
CID 10610105
(2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane
CID 169042978
(2R)-1,4-dimethyl-2-propan-2-ylcyclohexane
CID 149206895
N,N-dimethylmethanamine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;methane
CID 158426450
1,4-dimethyl-3-propan-2-ylpiperidine
CID 139491712
(1S,2R,4R)-4-methyl-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]diselanyl]-1-propan-2-ylcyclohexane
CID 11843260
(1S,2S,4R)-4-methyl-2-[[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]diselanyl]-1-propan-2-ylcyclohexane
CID 11843401
1,4-dimethyl-2-propan-2-ylcyclopentane
CID 91513076
(1R)-1-methyl-2-propan-2-ylcyclobutane
CID 158704963
2,4-dimethyl-1-(2-propan-2-ylcyclopropyl)cyclohexane
CID 123402643

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperidine;methane;trans-(1R,4S)-2,4-dimethyl-1-propan-2-ylcyclohexane;trans-(1S,4R)-2,4-dimethyl-1-propan-2-ylcyclohexane?
The IUPAC name of 1,4-dimethylpiperidine;methane;trans-(1R,4S)-2,4-dimethyl-1-propan-2-ylcyclohexane;trans-(1S,4R)-2,4-dimethyl-1-propan-2-ylcyclohexane (CID 161317784) is 1,4-dimethylpiperidine;methane;trans-(1R,4S)-2,4-dimethyl-1-propan-2-ylcyclohexane;trans-(1S,4R)-2,4-dimethyl-1-propan-2-ylcyclohexane.
What is the SMILES notation for 1,4-dimethylpiperidine;methane;trans-(1R,4S)-2,4-dimethyl-1-propan-2-ylcyclohexane;trans-(1S,4R)-2,4-dimethyl-1-propan-2-ylcyclohexane?
The canonical SMILES for 1,4-dimethylpiperidine;methane;trans-(1R,4S)-2,4-dimethyl-1-propan-2-ylcyclohexane;trans-(1S,4R)-2,4-dimethyl-1-propan-2-ylcyclohexane is C.C.CC(C)[C@@H]1CC[C@@H](C)CC1C.CC(C)[C@H]1CC[C@H](C)CC1C.CC1CCN(C)CC1.
What is the InChIKey of 1,4-dimethylpiperidine;methane;trans-(1R,4S)-2,4-dimethyl-1-propan-2-ylcyclohexane;trans-(1S,4R)-2,4-dimethyl-1-propan-2-ylcyclohexane?
The InChIKey is VJSQZXVYRXWREE-OYOSAABPSA-N. The full InChI is InChI=1S/2C11H22.C7H15N.2CH4/c2*1-8(2)11-6-5-9(3)7-10(11)4;1-7-3-5-8(2)6-4-7;;/h2*8-11H,5-7H2,1-4H3;7H,3-6H2,1-2H3;2*1H4/t2*9-,10?,11+;;;/m10.../s1.
What are the key properties of 1,4-dimethylpiperidine;methane;trans-(1R,4S)-2,4-dimethyl-1-propan-2-ylcyclohexane;trans-(1S,4R)-2,4-dimethyl-1-propan-2-ylcyclohexane?
1,4-dimethylpiperidine;methane;trans-(1R,4S)-2,4-dimethyl-1-propan-2-ylcyclohexane;trans-(1S,4R)-2,4-dimethyl-1-propan-2-ylcyclohexane has a molecular weight of 453.88 g/mol, XLogP of 10.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperidine;methane;trans-(1R,4S)-2,4-dimethyl-1-propan-2-ylcyclohexane;trans-(1S,4R)-2,4-dimethyl-1-propan-2-ylcyclohexane is sourced from PubChem (CID 161317784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).