N-[(3-phenyl-1-adamantyl)methyl]piperidin-4-amine

C22H32N2 — CID 130269347

IUPACN-[(3-phenyl-1-adamantyl)methyl]piperidin-4-amine
SMILESc1ccc(C23CC4CC(CC(CNC5CCNCC5)(C4)C2)C3)cc1
InChIInChI=1S/C22H32N2/c1-2-4-19(5-3-1)22-13-17-10-18(14-22)12-21(11-17,15-22)16-24-20-6-8-23-9-7-20/h1-5,17-18,20,23-24H,6-16H2
InChIKeyZZOBEIIGQUKQHV-UHFFFAOYSA-N
MW324.51 g/mol
LogP3.87
Rot. Bonds4

About N-[(3-phenyl-1-adamantyl)methyl]piperidin-4-amine

N-[(3-phenyl-1-adamantyl)methyl]piperidin-4-amine (PubChem CID 130269347) has the molecular formula C22H32N2 and a molecular weight of 324.51 g/mol. Its IUPAC name is N-[(3-phenyl-1-adamantyl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[(3-phenyl-1-adamantyl)methyl]piperidin-4-amine
PubChem CID130269347
Molecular FormulaC22H32N2
Molecular Weight324.51 g/mol
Exact Mass324.26
IUPAC NameN-[(3-phenyl-1-adamantyl)methyl]piperidin-4-amine
SMILESc1ccc(C23CC4CC(CC(CNC5CCNCC5)(C4)C2)C3)cc1
InChIInChI=1S/C22H32N2/c1-2-4-19(5-3-1)22-13-17-10-18(14-22)12-21(11-17,15-22)16-24-20-6-8-23-9-7-20/h1-5,17-18,20,23-24H,6-16H2
InChIKeyZZOBEIIGQUKQHV-UHFFFAOYSA-N
XLogP3.87
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-phenyl-1-adamantyl)methyl]piperidin-4-amine?
The IUPAC name of N-[(3-phenyl-1-adamantyl)methyl]piperidin-4-amine (CID 130269347) is N-[(3-phenyl-1-adamantyl)methyl]piperidin-4-amine.
What is the SMILES notation for N-[(3-phenyl-1-adamantyl)methyl]piperidin-4-amine?
The canonical SMILES for N-[(3-phenyl-1-adamantyl)methyl]piperidin-4-amine is c1ccc(C23CC4CC(CC(CNC5CCNCC5)(C4)C2)C3)cc1.
What is the InChIKey of N-[(3-phenyl-1-adamantyl)methyl]piperidin-4-amine?
The InChIKey is ZZOBEIIGQUKQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2/c1-2-4-19(5-3-1)22-13-17-10-18(14-22)12-21(11-17,15-22)16-24-20-6-8-23-9-7-20/h1-5,17-18,20,23-24H,6-16H2.
What are the key properties of N-[(3-phenyl-1-adamantyl)methyl]piperidin-4-amine?
N-[(3-phenyl-1-adamantyl)methyl]piperidin-4-amine has a molecular weight of 324.51 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-phenyl-1-adamantyl)methyl]piperidin-4-amine is sourced from PubChem (CID 130269347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).