1-(1-adamantyl)-4-[(1-methylimidazol-2-yl)methyl]piperazine

C19H30N4 — CID 70755285

IUPAC1-(1-adamantyl)-4-[(1-methylimidazol-2-yl)methyl]piperazine
SMILESCn1ccnc1CN1CCN(C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C19H30N4/c1-21-3-2-20-18(21)14-22-4-6-23(7-5-22)19-11-15-8-16(12-19)10-17(9-15)13-19/h2-3,15-17H,4-14H2,1H3
InChIKeySECKZISBQJZGNK-UHFFFAOYSA-N
MW314.48 g/mol
LogP2.51
Rot. Bonds3

About 1-(1-adamantyl)-4-[(1-methylimidazol-2-yl)methyl]piperazine

1-(1-adamantyl)-4-[(1-methylimidazol-2-yl)methyl]piperazine (PubChem CID 70755285) has the molecular formula C19H30N4 and a molecular weight of 314.48 g/mol. Its IUPAC name is 1-(1-adamantyl)-4-[(1-methylimidazol-2-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(1-adamantyl)-4-[(1-methylimidazol-2-yl)methyl]piperazine
PubChem CID70755285
Molecular FormulaC19H30N4
Molecular Weight314.48 g/mol
Exact Mass314.25
IUPAC Name1-(1-adamantyl)-4-[(1-methylimidazol-2-yl)methyl]piperazine
SMILESCn1ccnc1CN1CCN(C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C19H30N4/c1-21-3-2-20-18(21)14-22-4-6-23(7-5-22)19-11-15-8-16(12-19)10-17(9-15)13-19/h2-3,15-17H,4-14H2,1H3
InChIKeySECKZISBQJZGNK-UHFFFAOYSA-N
XLogP2.51
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.48
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-4-[(1-methylimidazol-2-yl)methyl]piperazine?
The IUPAC name of 1-(1-adamantyl)-4-[(1-methylimidazol-2-yl)methyl]piperazine (CID 70755285) is 1-(1-adamantyl)-4-[(1-methylimidazol-2-yl)methyl]piperazine.
What is the SMILES notation for 1-(1-adamantyl)-4-[(1-methylimidazol-2-yl)methyl]piperazine?
The canonical SMILES for 1-(1-adamantyl)-4-[(1-methylimidazol-2-yl)methyl]piperazine is Cn1ccnc1CN1CCN(C23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of 1-(1-adamantyl)-4-[(1-methylimidazol-2-yl)methyl]piperazine?
The InChIKey is SECKZISBQJZGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4/c1-21-3-2-20-18(21)14-22-4-6-23(7-5-22)19-11-15-8-16(12-19)10-17(9-15)13-19/h2-3,15-17H,4-14H2,1H3.
What are the key properties of 1-(1-adamantyl)-4-[(1-methylimidazol-2-yl)methyl]piperazine?
1-(1-adamantyl)-4-[(1-methylimidazol-2-yl)methyl]piperazine has a molecular weight of 314.48 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-4-[(1-methylimidazol-2-yl)methyl]piperazine is sourced from PubChem (CID 70755285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).