2-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]-1-methylpiperidin-4-amine

C21H33FN2 — CID 175124416

IUPAC2-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]-1-methylpiperidin-4-amine
SMILESCc1cc(F)ccc1C1CCC(CCC2CC(N)CCN2C)CC1
InChIInChI=1S/C21H33FN2/c1-15-13-18(22)8-10-21(15)17-6-3-16(4-7-17)5-9-20-14-19(23)11-12-24(20)2/h8,10,13,16-17,19-20H,3-7,9,11-12,14,23H2,1-2H3
InChIKeyIEZFZWNIWHCVGY-UHFFFAOYSA-N
MW332.51 g/mol
LogP4.61
Rot. Bonds4

About 2-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]-1-methylpiperidin-4-amine

2-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]-1-methylpiperidin-4-amine (PubChem CID 175124416) has the molecular formula C21H33FN2 and a molecular weight of 332.51 g/mol. Its IUPAC name is 2-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound Name2-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]-1-methylpiperidin-4-amine
PubChem CID175124416
Molecular FormulaC21H33FN2
Molecular Weight332.51 g/mol
Exact Mass332.26
IUPAC Name2-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]-1-methylpiperidin-4-amine
SMILESCc1cc(F)ccc1C1CCC(CCC2CC(N)CCN2C)CC1
InChIInChI=1S/C21H33FN2/c1-15-13-18(22)8-10-21(15)17-6-3-16(4-7-17)5-9-20-14-19(23)11-12-24(20)2/h8,10,13,16-17,19-20H,3-7,9,11-12,14,23H2,1-2H3
InChIKeyIEZFZWNIWHCVGY-UHFFFAOYSA-N
XLogP4.61
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.51
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]-1-methylpiperidin-4-amine?
The IUPAC name of 2-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]-1-methylpiperidin-4-amine (CID 175124416) is 2-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for 2-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]-1-methylpiperidin-4-amine?
The canonical SMILES for 2-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]-1-methylpiperidin-4-amine is Cc1cc(F)ccc1C1CCC(CCC2CC(N)CCN2C)CC1.
What is the InChIKey of 2-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]-1-methylpiperidin-4-amine?
The InChIKey is IEZFZWNIWHCVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33FN2/c1-15-13-18(22)8-10-21(15)17-6-3-16(4-7-17)5-9-20-14-19(23)11-12-24(20)2/h8,10,13,16-17,19-20H,3-7,9,11-12,14,23H2,1-2H3.
What are the key properties of 2-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]-1-methylpiperidin-4-amine?
2-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]-1-methylpiperidin-4-amine has a molecular weight of 332.51 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 175124416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).