1-[(4-fluorocyclohexyl)methyl]-5-methylpiperidin-2-amine

C13H25FN2 — CID 163138869

IUPAC1-[(4-fluorocyclohexyl)methyl]-5-methylpiperidin-2-amine
SMILESCC1CCC(N)N(CC2CCC(F)CC2)C1
InChIInChI=1S/C13H25FN2/c1-10-2-7-13(15)16(8-10)9-11-3-5-12(14)6-4-11/h10-13H,2-9,15H2,1H3
InChIKeyKJRGGNCWODZYBK-UHFFFAOYSA-N
MW228.35 g/mol
LogP2.53
Rot. Bonds2

About 1-[(4-fluorocyclohexyl)methyl]-5-methylpiperidin-2-amine

1-[(4-fluorocyclohexyl)methyl]-5-methylpiperidin-2-amine (PubChem CID 163138869) has the molecular formula C13H25FN2 and a molecular weight of 228.35 g/mol. Its IUPAC name is 1-[(4-fluorocyclohexyl)methyl]-5-methylpiperidin-2-amine.

Molecular Properties

Compound Name1-[(4-fluorocyclohexyl)methyl]-5-methylpiperidin-2-amine
PubChem CID163138869
Molecular FormulaC13H25FN2
Molecular Weight228.35 g/mol
Exact Mass228.20
IUPAC Name1-[(4-fluorocyclohexyl)methyl]-5-methylpiperidin-2-amine
SMILESCC1CCC(N)N(CC2CCC(F)CC2)C1
InChIInChI=1S/C13H25FN2/c1-10-2-7-13(15)16(8-10)9-11-3-5-12(14)6-4-11/h10-13H,2-9,15H2,1H3
InChIKeyKJRGGNCWODZYBK-UHFFFAOYSA-N
XLogP2.53
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorocyclohexyl)methyl]-5-methylpiperidin-2-amine?
The IUPAC name of 1-[(4-fluorocyclohexyl)methyl]-5-methylpiperidin-2-amine (CID 163138869) is 1-[(4-fluorocyclohexyl)methyl]-5-methylpiperidin-2-amine.
What is the SMILES notation for 1-[(4-fluorocyclohexyl)methyl]-5-methylpiperidin-2-amine?
The canonical SMILES for 1-[(4-fluorocyclohexyl)methyl]-5-methylpiperidin-2-amine is CC1CCC(N)N(CC2CCC(F)CC2)C1.
What is the InChIKey of 1-[(4-fluorocyclohexyl)methyl]-5-methylpiperidin-2-amine?
The InChIKey is KJRGGNCWODZYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25FN2/c1-10-2-7-13(15)16(8-10)9-11-3-5-12(14)6-4-11/h10-13H,2-9,15H2,1H3.
What are the key properties of 1-[(4-fluorocyclohexyl)methyl]-5-methylpiperidin-2-amine?
1-[(4-fluorocyclohexyl)methyl]-5-methylpiperidin-2-amine has a molecular weight of 228.35 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorocyclohexyl)methyl]-5-methylpiperidin-2-amine is sourced from PubChem (CID 163138869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).