5-cyclopropyl-5-methyl-2-(2-methylpropyl)-1-(pyridin-2-ylmethyl)piperazine

C18H29N3 — CID 64877133

IUPAC5-cyclopropyl-5-methyl-2-(2-methylpropyl)-1-(pyridin-2-ylmethyl)piperazine
SMILESCC(C)CC1CNC(C)(C2CC2)CN1Cc1ccccn1
InChIInChI=1S/C18H29N3/c1-14(2)10-17-11-20-18(3,15-7-8-15)13-21(17)12-16-6-4-5-9-19-16/h4-6,9,14-15,17,20H,7-8,10-13H2,1-3H3
InChIKeyDNANDTKJBNXMDI-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.07
Rot. Bonds5

About 5-cyclopropyl-5-methyl-2-(2-methylpropyl)-1-(pyridin-2-ylmethyl)piperazine

5-cyclopropyl-5-methyl-2-(2-methylpropyl)-1-(pyridin-2-ylmethyl)piperazine (PubChem CID 64877133) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 5-cyclopropyl-5-methyl-2-(2-methylpropyl)-1-(pyridin-2-ylmethyl)piperazine.

Molecular Properties

Compound Name5-cyclopropyl-5-methyl-2-(2-methylpropyl)-1-(pyridin-2-ylmethyl)piperazine
PubChem CID64877133
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name5-cyclopropyl-5-methyl-2-(2-methylpropyl)-1-(pyridin-2-ylmethyl)piperazine
SMILESCC(C)CC1CNC(C)(C2CC2)CN1Cc1ccccn1
InChIInChI=1S/C18H29N3/c1-14(2)10-17-11-20-18(3,15-7-8-15)13-21(17)12-16-6-4-5-9-19-16/h4-6,9,14-15,17,20H,7-8,10-13H2,1-3H3
InChIKeyDNANDTKJBNXMDI-UHFFFAOYSA-N
XLogP3.07
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclopropyl-5-methyl-2-(2-methylpropyl)-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 107056009
5-cyclopropyl-2-ethyl-5-methyl-1-(2-pyridin-2-ylethyl)piperazine
CID 64935480
5-cyclopropyl-1-ethyl-5-methyl-2-(2-methylpropyl)piperazine
CID 64876945
2,5,5-triethyl-1-(pyridin-2-ylmethyl)piperazine
CID 64861194
1-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-5-methyl-2-(2-methylpropyl)piperazine
CID 64877308
2-[(5-cyclopropyl-5-methyl-2-propylpiperazin-1-yl)methyl]pyrimidine
CID 64876536
5,5-dimethyl-2-(2-methylpropyl)-1-[(3-methyl-2-pyridinyl)methyl]piperazine
CID 115982498
1-[(5-bromo-2-pyridinyl)methyl]-5-cyclopropyl-2-ethyl-5-methylpiperazine
CID 104812551
2-[(5-cyclopropyl-2,5-dimethylpiperazin-1-yl)methyl]pyrimidine
CID 64876136
1-[(E)-but-2-enyl]-5-cyclopropyl-5-methyl-2-(2-methylpropyl)piperazine
CID 107898076
5-(2-methylpropyl)-2-propyl-1-(pyridin-2-ylmethyl)piperazine
CID 64848923
5,5-dimethyl-2-(2-methylpropyl)-1-(pyridin-4-ylmethyl)piperazine
CID 64838551

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-5-methyl-2-(2-methylpropyl)-1-(pyridin-2-ylmethyl)piperazine?
The IUPAC name of 5-cyclopropyl-5-methyl-2-(2-methylpropyl)-1-(pyridin-2-ylmethyl)piperazine (CID 64877133) is 5-cyclopropyl-5-methyl-2-(2-methylpropyl)-1-(pyridin-2-ylmethyl)piperazine.
What is the SMILES notation for 5-cyclopropyl-5-methyl-2-(2-methylpropyl)-1-(pyridin-2-ylmethyl)piperazine?
The canonical SMILES for 5-cyclopropyl-5-methyl-2-(2-methylpropyl)-1-(pyridin-2-ylmethyl)piperazine is CC(C)CC1CNC(C)(C2CC2)CN1Cc1ccccn1.
What is the InChIKey of 5-cyclopropyl-5-methyl-2-(2-methylpropyl)-1-(pyridin-2-ylmethyl)piperazine?
The InChIKey is DNANDTKJBNXMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-14(2)10-17-11-20-18(3,15-7-8-15)13-21(17)12-16-6-4-5-9-19-16/h4-6,9,14-15,17,20H,7-8,10-13H2,1-3H3.
What are the key properties of 5-cyclopropyl-5-methyl-2-(2-methylpropyl)-1-(pyridin-2-ylmethyl)piperazine?
5-cyclopropyl-5-methyl-2-(2-methylpropyl)-1-(pyridin-2-ylmethyl)piperazine has a molecular weight of 287.45 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-5-methyl-2-(2-methylpropyl)-1-(pyridin-2-ylmethyl)piperazine is sourced from PubChem (CID 64877133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).