5,5-dimethyl-2-(2-methylpropyl)-1-[(3-methyl-2-pyridinyl)methyl]piperazine

C17H29N3 — CID 115982498

IUPAC5,5-dimethyl-2-(2-methylpropyl)-1-[(3-methyl-2-pyridinyl)methyl]piperazine
SMILESCc1cccnc1CN1CC(C)(C)NCC1CC(C)C
InChIInChI=1S/C17H29N3/c1-13(2)9-15-10-19-17(4,5)12-20(15)11-16-14(3)7-6-8-18-16/h6-8,13,15,19H,9-12H2,1-5H3
InChIKeyLFHQJGAKRZTLMR-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.99
Rot. Bonds4

About 5,5-dimethyl-2-(2-methylpropyl)-1-[(3-methyl-2-pyridinyl)methyl]piperazine

5,5-dimethyl-2-(2-methylpropyl)-1-[(3-methyl-2-pyridinyl)methyl]piperazine (PubChem CID 115982498) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 5,5-dimethyl-2-(2-methylpropyl)-1-[(3-methyl-2-pyridinyl)methyl]piperazine.

Molecular Properties

Compound Name5,5-dimethyl-2-(2-methylpropyl)-1-[(3-methyl-2-pyridinyl)methyl]piperazine
PubChem CID115982498
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name5,5-dimethyl-2-(2-methylpropyl)-1-[(3-methyl-2-pyridinyl)methyl]piperazine
SMILESCc1cccnc1CN1CC(C)(C)NCC1CC(C)C
InChIInChI=1S/C17H29N3/c1-13(2)9-15-10-19-17(4,5)12-20(15)11-16-14(3)7-6-8-18-16/h6-8,13,15,19H,9-12H2,1-5H3
InChIKeyLFHQJGAKRZTLMR-UHFFFAOYSA-N
XLogP2.99
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,5-dimethyl-2-(2-methylpropyl)-1-(pyridin-4-ylmethyl)piperazine
CID 64838551
3,3,7-trimethyl-1-[(3-methyl-2-pyridinyl)methyl]-1,4-diazepane
CID 112651542
2-ethyl-1-[(3-ethyl-2-pyridinyl)methyl]-5,5-dimethylpiperazine
CID 82745822
1-[(4-chlorophenyl)methyl]-5,5-dimethyl-2-(2-methylpropyl)piperazine
CID 64837785
1-[(5-fluoro-2-methylphenyl)methyl]-5,5-dimethyl-2-(2-methylpropyl)piperazine
CID 105375695
5-cyclopropyl-5-methyl-2-(2-methylpropyl)-1-(pyridin-2-ylmethyl)piperazine
CID 64877133
3,3-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]-1,4-diazepane
CID 64950592
1-[2-[5,5-dimethyl-2-(2-methylpropyl)piperazin-1-yl]ethyl]pyridin-2-one
CID 82899732
5,5-diethyl-2-(2-methylpropyl)-1-(pyridin-4-ylmethyl)piperazine
CID 64860440
5,5-diethyl-2,2-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]piperazine
CID 115982543
5-ethyl-2-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperazine
CID 64940428
1-butyl-5,5-dimethyl-2-(2-methylpropyl)piperazine
CID 64838733

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-(2-methylpropyl)-1-[(3-methyl-2-pyridinyl)methyl]piperazine?
The IUPAC name of 5,5-dimethyl-2-(2-methylpropyl)-1-[(3-methyl-2-pyridinyl)methyl]piperazine (CID 115982498) is 5,5-dimethyl-2-(2-methylpropyl)-1-[(3-methyl-2-pyridinyl)methyl]piperazine.
What is the SMILES notation for 5,5-dimethyl-2-(2-methylpropyl)-1-[(3-methyl-2-pyridinyl)methyl]piperazine?
The canonical SMILES for 5,5-dimethyl-2-(2-methylpropyl)-1-[(3-methyl-2-pyridinyl)methyl]piperazine is Cc1cccnc1CN1CC(C)(C)NCC1CC(C)C.
What is the InChIKey of 5,5-dimethyl-2-(2-methylpropyl)-1-[(3-methyl-2-pyridinyl)methyl]piperazine?
The InChIKey is LFHQJGAKRZTLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-13(2)9-15-10-19-17(4,5)12-20(15)11-16-14(3)7-6-8-18-16/h6-8,13,15,19H,9-12H2,1-5H3.
What are the key properties of 5,5-dimethyl-2-(2-methylpropyl)-1-[(3-methyl-2-pyridinyl)methyl]piperazine?
5,5-dimethyl-2-(2-methylpropyl)-1-[(3-methyl-2-pyridinyl)methyl]piperazine has a molecular weight of 275.44 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-(2-methylpropyl)-1-[(3-methyl-2-pyridinyl)methyl]piperazine is sourced from PubChem (CID 115982498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).