1-[(2-fluorophenyl)methyl]-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-amine

C22H33FN2 — CID 44591874

IUPAC1-[(2-fluorophenyl)methyl]-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-amine
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC1CCN(Cc3ccccc3F)CC1)C2
InChIInChI=1S/C22H33FN2/c1-21(2)17-8-11-22(21,3)20(14-17)24-18-9-12-25(13-10-18)15-16-6-4-5-7-19(16)23/h4-7,17-18,20,24H,8-15H2,1-3H3/t17-,20-,22+/m1/s1
InChIKeyIGYNDVNFAXCKFQ-ZNLUXHQJSA-N
MW344.52 g/mol
LogP4.59
Rot. Bonds4

About 1-[(2-fluorophenyl)methyl]-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-amine

1-[(2-fluorophenyl)methyl]-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-amine (PubChem CID 44591874) has the molecular formula C22H33FN2 and a molecular weight of 344.52 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-amine
PubChem CID44591874
Molecular FormulaC22H33FN2
Molecular Weight344.52 g/mol
Exact Mass344.26
IUPAC Name1-[(2-fluorophenyl)methyl]-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-amine
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC1CCN(Cc3ccccc3F)CC1)C2
InChIInChI=1S/C22H33FN2/c1-21(2)17-8-11-22(21,3)20(14-17)24-18-9-12-25(13-10-18)15-16-6-4-5-7-19(16)23/h4-7,17-18,20,24H,8-15H2,1-3H3/t17-,20-,22+/m1/s1
InChIKeyIGYNDVNFAXCKFQ-ZNLUXHQJSA-N
XLogP4.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.52
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(2-fluorophenyl)methyl]-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-amine?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-amine (CID 44591874) is 1-[(2-fluorophenyl)methyl]-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-amine.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-amine?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-amine is CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC1CCN(Cc3ccccc3F)CC1)C2.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-amine?
The InChIKey is IGYNDVNFAXCKFQ-ZNLUXHQJSA-N. The full InChI is InChI=1S/C22H33FN2/c1-21(2)17-8-11-22(21,3)20(14-17)24-18-9-12-25(13-10-18)15-16-6-4-5-7-19(16)23/h4-7,17-18,20,24H,8-15H2,1-3H3/t17-,20-,22+/m1/s1.
What are the key properties of 1-[(2-fluorophenyl)methyl]-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-amine?
1-[(2-fluorophenyl)methyl]-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-amine has a molecular weight of 344.52 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-amine is sourced from PubChem (CID 44591874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).