1-[(1S,3R)-3-methoxy-1-methylcyclohexyl]piperidin-4-amine

C13H26N2O — CID 71054744

IUPAC1-[(1S,3R)-3-methoxy-1-methylcyclohexyl]piperidin-4-amine
SMILESCO[C@@H]1CCC[C@](C)(N2CCC(N)CC2)C1
InChIInChI=1S/C13H26N2O/c1-13(7-3-4-12(10-13)16-2)15-8-5-11(14)6-9-15/h11-12H,3-10,14H2,1-2H3/t12-,13+/m1/s1
InChIKeyPYUYIIPKRILRHI-OLZOCXBDSA-N
MW226.36 g/mol
LogP1.76
Rot. Bonds2

About 1-[(1S,3R)-3-methoxy-1-methylcyclohexyl]piperidin-4-amine

1-[(1S,3R)-3-methoxy-1-methylcyclohexyl]piperidin-4-amine (PubChem CID 71054744) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-[(1S,3R)-3-methoxy-1-methylcyclohexyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[(1S,3R)-3-methoxy-1-methylcyclohexyl]piperidin-4-amine
PubChem CID71054744
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-[(1S,3R)-3-methoxy-1-methylcyclohexyl]piperidin-4-amine
SMILESCO[C@@H]1CCC[C@](C)(N2CCC(N)CC2)C1
InChIInChI=1S/C13H26N2O/c1-13(7-3-4-12(10-13)16-2)15-8-5-11(14)6-9-15/h11-12H,3-10,14H2,1-2H3/t12-,13+/m1/s1
InChIKeyPYUYIIPKRILRHI-OLZOCXBDSA-N
XLogP1.76
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,3R)-3-methoxy-1-methylcyclohexyl]piperidin-4-amine?
The IUPAC name of 1-[(1S,3R)-3-methoxy-1-methylcyclohexyl]piperidin-4-amine (CID 71054744) is 1-[(1S,3R)-3-methoxy-1-methylcyclohexyl]piperidin-4-amine.
What is the SMILES notation for 1-[(1S,3R)-3-methoxy-1-methylcyclohexyl]piperidin-4-amine?
The canonical SMILES for 1-[(1S,3R)-3-methoxy-1-methylcyclohexyl]piperidin-4-amine is CO[C@@H]1CCC[C@](C)(N2CCC(N)CC2)C1.
What is the InChIKey of 1-[(1S,3R)-3-methoxy-1-methylcyclohexyl]piperidin-4-amine?
The InChIKey is PYUYIIPKRILRHI-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H26N2O/c1-13(7-3-4-12(10-13)16-2)15-8-5-11(14)6-9-15/h11-12H,3-10,14H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of 1-[(1S,3R)-3-methoxy-1-methylcyclohexyl]piperidin-4-amine?
1-[(1S,3R)-3-methoxy-1-methylcyclohexyl]piperidin-4-amine has a molecular weight of 226.36 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,3R)-3-methoxy-1-methylcyclohexyl]piperidin-4-amine is sourced from PubChem (CID 71054744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).