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

C22H34N2 — CID 44592474

IUPAC1-benzyl-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(Cc3ccccc3)CC1)C2
InChIInChI=1S/C22H34N2/c1-21(2)18-9-12-22(21,3)20(15-18)23-19-10-13-24(14-11-19)16-17-7-5-4-6-8-17/h4-8,18-20,23H,9-16H2,1-3H3/t18-,20-,22+/m1/s1
InChIKeyDHFQWVUXNCCHPG-UZKOGDIHSA-N
MW326.53 g/mol
LogP4.46
Rot. Bonds4

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

1-benzyl-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-amine (PubChem CID 44592474) has the molecular formula C22H34N2 and a molecular weight of 326.53 g/mol. Its IUPAC name is 1-benzyl-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-amine
PubChem CID44592474
Molecular FormulaC22H34N2
Molecular Weight326.53 g/mol
Exact Mass326.27
IUPAC Name1-benzyl-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(Cc3ccccc3)CC1)C2
InChIInChI=1S/C22H34N2/c1-21(2)18-9-12-22(21,3)20(15-18)23-19-10-13-24(14-11-19)16-17-7-5-4-6-8-17/h4-8,18-20,23H,9-16H2,1-3H3/t18-,20-,22+/m1/s1
InChIKeyDHFQWVUXNCCHPG-UZKOGDIHSA-N
XLogP4.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.53
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-amine?
The IUPAC name of 1-benzyl-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-amine (CID 44592474) is 1-benzyl-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-amine.
What is the SMILES notation for 1-benzyl-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-amine?
The canonical SMILES for 1-benzyl-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(Cc3ccccc3)CC1)C2.
What is the InChIKey of 1-benzyl-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-amine?
The InChIKey is DHFQWVUXNCCHPG-UZKOGDIHSA-N. The full InChI is InChI=1S/C22H34N2/c1-21(2)18-9-12-22(21,3)20(15-18)23-19-10-13-24(14-11-19)16-17-7-5-4-6-8-17/h4-8,18-20,23H,9-16H2,1-3H3/t18-,20-,22+/m1/s1.
What are the key properties of 1-benzyl-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-amine?
1-benzyl-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-amine has a molecular weight of 326.53 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-amine is sourced from PubChem (CID 44592474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).