N-(2-adamantyl)-1-benzylpiperidin-4-amine

C22H32N2 — CID 1378429

IUPACN-(2-adamantyl)-1-benzylpiperidin-4-amine
SMILESc1ccc(CN2CCC(NC3C4CC5CC(C4)CC3C5)CC2)cc1
InChIInChI=1S/C22H32N2/c1-2-4-16(5-3-1)15-24-8-6-21(7-9-24)23-22-19-11-17-10-18(13-19)14-20(22)12-17/h1-5,17-23H,6-15H2
InChIKeyNPKWIBDFHNKRIF-UHFFFAOYSA-N
MW324.51 g/mol
LogP4.07
Rot. Bonds4

About N-(2-adamantyl)-1-benzylpiperidin-4-amine

N-(2-adamantyl)-1-benzylpiperidin-4-amine (PubChem CID 1378429) has the molecular formula C22H32N2 and a molecular weight of 324.51 g/mol. Its IUPAC name is N-(2-adamantyl)-1-benzylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2-adamantyl)-1-benzylpiperidin-4-amine
PubChem CID1378429
Molecular FormulaC22H32N2
Molecular Weight324.51 g/mol
Exact Mass324.26
IUPAC NameN-(2-adamantyl)-1-benzylpiperidin-4-amine
SMILESc1ccc(CN2CCC(NC3C4CC5CC(C4)CC3C5)CC2)cc1
InChIInChI=1S/C22H32N2/c1-2-4-16(5-3-1)15-24-8-6-21(7-9-24)23-22-19-11-17-10-18(13-19)14-20(22)12-17/h1-5,17-23H,6-15H2
InChIKeyNPKWIBDFHNKRIF-UHFFFAOYSA-N
XLogP4.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Benzhydrylpiperazine
CID 70048
1-Adamantan-1-yl-3-(1-benzyl-piperidin-4-yl)-urea
CID 2955557
1-(1,2-Diphenylethyl)piperazine
CID 12263801
N-benzyl-N-isobutylpiperidin-4-amine
CID 44411431
1-(1,3-Diphenylpropyl)piperazine
CID 44414840
1-[[4-[1-Adamantyl(phenyl)methyl]phenyl]methyl]piperazine
CID 71452273
1-(2-phenylethyl)-N-[3-(trifluoromethyl)benzyl]-4-piperidinamine
CID 26458299
1-Benzyl-N-(2-cyclohexylidene-2-fluoroethyl)-4-piperidinamine
CID 23646098
3-Benzyl-piperidine-1-carboxylic acid adamantan-2-ylamide
CID 46231437
N-(3-fluorobenzyl)-1-(2-phenylethyl)-4-piperidinamine
CID 782100
Benzhydryl-[2-(1-benzyl-piperidin-4-yl)-ethyl]-amine
CID 9821460
N-[1-(2,2-diphenylethyl)piperidin-4-yl]-N',N'-diethylpropane-1,3-diamine
CID 9952493

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-1-benzylpiperidin-4-amine?
The IUPAC name of N-(2-adamantyl)-1-benzylpiperidin-4-amine (CID 1378429) is N-(2-adamantyl)-1-benzylpiperidin-4-amine.
What is the SMILES notation for N-(2-adamantyl)-1-benzylpiperidin-4-amine?
The canonical SMILES for N-(2-adamantyl)-1-benzylpiperidin-4-amine is c1ccc(CN2CCC(NC3C4CC5CC(C4)CC3C5)CC2)cc1.
What is the InChIKey of N-(2-adamantyl)-1-benzylpiperidin-4-amine?
The InChIKey is NPKWIBDFHNKRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2/c1-2-4-16(5-3-1)15-24-8-6-21(7-9-24)23-22-19-11-17-10-18(13-19)14-20(22)12-17/h1-5,17-23H,6-15H2.
What are the key properties of N-(2-adamantyl)-1-benzylpiperidin-4-amine?
N-(2-adamantyl)-1-benzylpiperidin-4-amine has a molecular weight of 324.51 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-1-benzylpiperidin-4-amine is sourced from PubChem (CID 1378429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).