1-(2-adamantyl)-4-phenylpiperazine

C20H28N2 — CID 1378368

IUPAC1-(2-adamantyl)-4-phenylpiperazine
SMILESc1ccc(N2CCN(C3C4CC5CC(C4)CC3C5)CC2)cc1
InChIInChI=1S/C20H28N2/c1-2-4-19(5-3-1)21-6-8-22(9-7-21)20-17-11-15-10-16(13-17)14-18(20)12-15/h1-5,15-18,20H,6-14H2
InChIKeyMPXKCXVZHJERPQ-UHFFFAOYSA-N
MW296.46 g/mol
LogP3.63
Rot. Bonds2

About 1-(2-adamantyl)-4-phenylpiperazine

1-(2-adamantyl)-4-phenylpiperazine (PubChem CID 1378368) has the molecular formula C20H28N2 and a molecular weight of 296.46 g/mol. Its IUPAC name is 1-(2-adamantyl)-4-phenylpiperazine.

Molecular Properties

Compound Name1-(2-adamantyl)-4-phenylpiperazine
PubChem CID1378368
Molecular FormulaC20H28N2
Molecular Weight296.46 g/mol
Exact Mass296.23
IUPAC Name1-(2-adamantyl)-4-phenylpiperazine
SMILESc1ccc(N2CCN(C3C4CC5CC(C4)CC3C5)CC2)cc1
InChIInChI=1S/C20H28N2/c1-2-4-19(5-3-1)21-6-8-22(9-7-21)20-17-11-15-10-16(13-17)14-18(20)12-15/h1-5,15-18,20H,6-14H2
InChIKeyMPXKCXVZHJERPQ-UHFFFAOYSA-N
XLogP3.63
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-adamantyl)-4-phenylpiperazine with MolForge

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

Launch Full Analysis

Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-4-phenylpiperazine
CID 2846385
1-(1-adamantylsulfonyl)-4-phenylpiperazine
CID 4918905
1-[1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]-4-phenylpiperazine
CID 11877899
1-cycloheptyl-4-phenylpiperazine
CID 2846720
1-[(1S,3S)-3-methylcyclopentyl]-4-phenylpiperazine
CID 6937921
1-(2-adamantyl)pyrrolidine;hydrochloride
CID 12828801
1-fluoro-4-phenylpiperazine
CID 23450926
[(1R,2R,3R,4S)-2,4-dihydroxy-3-(4-phenylpiperazin-1-yl)cyclopentyl]urea
CID 155902271
4-[[(1R,5S)-3-bicyclo[3.2.1]octanyl]oxy]-1-phenylpiperidine
CID 70660881
4-methyl-2-(4-phenylpiperazin-1-yl)cyclohexan-1-amine
CID 82171454
6-[(4-phenylpiperazin-1-yl)methyl]-2-azaspiro[3.3]heptane
CID 171069732
1-(1-methyl-3,4-dihydro-1H-isochromen-4-yl)-4-phenylpiperazine
CID 13462902

Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantyl)-4-phenylpiperazine?
The IUPAC name of 1-(2-adamantyl)-4-phenylpiperazine (CID 1378368) is 1-(2-adamantyl)-4-phenylpiperazine.
What is the SMILES notation for 1-(2-adamantyl)-4-phenylpiperazine?
The canonical SMILES for 1-(2-adamantyl)-4-phenylpiperazine is c1ccc(N2CCN(C3C4CC5CC(C4)CC3C5)CC2)cc1.
What is the InChIKey of 1-(2-adamantyl)-4-phenylpiperazine?
The InChIKey is MPXKCXVZHJERPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2/c1-2-4-19(5-3-1)21-6-8-22(9-7-21)20-17-11-15-10-16(13-17)14-18(20)12-15/h1-5,15-18,20H,6-14H2.
What are the key properties of 1-(2-adamantyl)-4-phenylpiperazine?
1-(2-adamantyl)-4-phenylpiperazine has a molecular weight of 296.46 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyl)-4-phenylpiperazine is sourced from PubChem (CID 1378368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).