1-[(2S)-4-[(2S)-2-fluoro-4-methylcyclohexyl]oxy-1,2-dimethylpiperidin-3-yl]-N-methylmethanamine

C16H31FN2O — CID 174282791

IUPAC1-[(2S)-4-[(2S)-2-fluoro-4-methylcyclohexyl]oxy-1,2-dimethylpiperidin-3-yl]-N-methylmethanamine
SMILESCNCC1C(OC2CCC(C)C[C@@H]2F)CCN(C)[C@H]1C
InChIInChI=1S/C16H31FN2O/c1-11-5-6-16(14(17)9-11)20-15-7-8-19(4)12(2)13(15)10-18-3/h11-16,18H,5-10H2,1-4H3/t11?,12-,13?,14-,15?,16?/m0/s1
InChIKeyORPYISWFOSJKOA-ILEDILEZSA-N
MW286.43 g/mol
LogP2.46
Rot. Bonds4

About 1-[(2S)-4-[(2S)-2-fluoro-4-methylcyclohexyl]oxy-1,2-dimethylpiperidin-3-yl]-N-methylmethanamine

1-[(2S)-4-[(2S)-2-fluoro-4-methylcyclohexyl]oxy-1,2-dimethylpiperidin-3-yl]-N-methylmethanamine (PubChem CID 174282791) has the molecular formula C16H31FN2O and a molecular weight of 286.43 g/mol. Its IUPAC name is 1-[(2S)-4-[(2S)-2-fluoro-4-methylcyclohexyl]oxy-1,2-dimethylpiperidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[(2S)-4-[(2S)-2-fluoro-4-methylcyclohexyl]oxy-1,2-dimethylpiperidin-3-yl]-N-methylmethanamine
PubChem CID174282791
Molecular FormulaC16H31FN2O
Molecular Weight286.43 g/mol
Exact Mass286.24
IUPAC Name1-[(2S)-4-[(2S)-2-fluoro-4-methylcyclohexyl]oxy-1,2-dimethylpiperidin-3-yl]-N-methylmethanamine
SMILESCNCC1C(OC2CCC(C)C[C@@H]2F)CCN(C)[C@H]1C
InChIInChI=1S/C16H31FN2O/c1-11-5-6-16(14(17)9-11)20-15-7-8-19(4)12(2)13(15)10-18-3/h11-16,18H,5-10H2,1-4H3/t11?,12-,13?,14-,15?,16?/m0/s1
InChIKeyORPYISWFOSJKOA-ILEDILEZSA-N
XLogP2.46
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.43
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4-[(2S)-2-fluoro-4-methylcyclohexyl]oxy-1,2-dimethylpiperidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[(2S)-4-[(2S)-2-fluoro-4-methylcyclohexyl]oxy-1,2-dimethylpiperidin-3-yl]-N-methylmethanamine (CID 174282791) is 1-[(2S)-4-[(2S)-2-fluoro-4-methylcyclohexyl]oxy-1,2-dimethylpiperidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[(2S)-4-[(2S)-2-fluoro-4-methylcyclohexyl]oxy-1,2-dimethylpiperidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[(2S)-4-[(2S)-2-fluoro-4-methylcyclohexyl]oxy-1,2-dimethylpiperidin-3-yl]-N-methylmethanamine is CNCC1C(OC2CCC(C)C[C@@H]2F)CCN(C)[C@H]1C.
What is the InChIKey of 1-[(2S)-4-[(2S)-2-fluoro-4-methylcyclohexyl]oxy-1,2-dimethylpiperidin-3-yl]-N-methylmethanamine?
The InChIKey is ORPYISWFOSJKOA-ILEDILEZSA-N. The full InChI is InChI=1S/C16H31FN2O/c1-11-5-6-16(14(17)9-11)20-15-7-8-19(4)12(2)13(15)10-18-3/h11-16,18H,5-10H2,1-4H3/t11?,12-,13?,14-,15?,16?/m0/s1.
What are the key properties of 1-[(2S)-4-[(2S)-2-fluoro-4-methylcyclohexyl]oxy-1,2-dimethylpiperidin-3-yl]-N-methylmethanamine?
1-[(2S)-4-[(2S)-2-fluoro-4-methylcyclohexyl]oxy-1,2-dimethylpiperidin-3-yl]-N-methylmethanamine has a molecular weight of 286.43 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-4-[(2S)-2-fluoro-4-methylcyclohexyl]oxy-1,2-dimethylpiperidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 174282791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).