5-cyclopropyl-5-methyl-1-[(6-methyl-3-pyridinyl)methyl]-2-propan-2-ylpiperazine

C18H29N3 — CID 64941949

IUPAC5-cyclopropyl-5-methyl-1-[(6-methyl-3-pyridinyl)methyl]-2-propan-2-ylpiperazine
SMILESCc1ccc(CN2CC(C)(C3CC3)NCC2C(C)C)cn1
InChIInChI=1S/C18H29N3/c1-13(2)17-10-20-18(4,16-7-8-16)12-21(17)11-15-6-5-14(3)19-9-15/h5-6,9,13,16-17,20H,7-8,10-12H2,1-4H3
InChIKeyIZQNUMZXBYMJMO-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.99
Rot. Bonds4

About 5-cyclopropyl-5-methyl-1-[(6-methyl-3-pyridinyl)methyl]-2-propan-2-ylpiperazine

5-cyclopropyl-5-methyl-1-[(6-methyl-3-pyridinyl)methyl]-2-propan-2-ylpiperazine (PubChem CID 64941949) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 5-cyclopropyl-5-methyl-1-[(6-methyl-3-pyridinyl)methyl]-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5-cyclopropyl-5-methyl-1-[(6-methyl-3-pyridinyl)methyl]-2-propan-2-ylpiperazine
PubChem CID64941949
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name5-cyclopropyl-5-methyl-1-[(6-methyl-3-pyridinyl)methyl]-2-propan-2-ylpiperazine
SMILESCc1ccc(CN2CC(C)(C3CC3)NCC2C(C)C)cn1
InChIInChI=1S/C18H29N3/c1-13(2)17-10-20-18(4,16-7-8-16)12-21(17)11-15-6-5-14(3)19-9-15/h5-6,9,13,16-17,20H,7-8,10-12H2,1-4H3
InChIKeyIZQNUMZXBYMJMO-UHFFFAOYSA-N
XLogP2.99
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclopropyl-5-methyl-1-[(3-methylphenyl)methyl]-2-propan-2-ylpiperazine
CID 64876545
5-cyclopropyl-1-[(2-fluorophenyl)methyl]-5-methyl-2-propan-2-ylpiperazine
CID 64877110
1-[(2-bromophenyl)methyl]-5-cyclopropyl-5-methyl-2-propan-2-ylpiperazine
CID 64877485
2-butan-2-yl-5-cyclopropyl-5-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 64877873
2-[2-(5-cyclopropyl-5-methyl-2-propan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazole
CID 64940605
5-cyclopropyl-5-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]-2-propan-2-ylpiperazine
CID 64934750
2-ethyl-1-[(6-methyl-3-pyridinyl)methyl]-5-propan-2-ylpiperazine
CID 64938382
2-[(6-methyl-3-pyridinyl)methyl]-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939180
4-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]-2-methylpyrimidine
CID 64945782
5-cyclopropyl-5-methyl-2-propan-2-yl-1-(thiolan-3-ylmethyl)piperazine
CID 107298458
5-cyclopropyl-5-methyl-1-(2-methylpentan-3-yl)-2-propan-2-ylpiperazine
CID 64946234
1-[(3,4-dimethylphenyl)methyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 64847914

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-5-methyl-1-[(6-methyl-3-pyridinyl)methyl]-2-propan-2-ylpiperazine?
The IUPAC name of 5-cyclopropyl-5-methyl-1-[(6-methyl-3-pyridinyl)methyl]-2-propan-2-ylpiperazine (CID 64941949) is 5-cyclopropyl-5-methyl-1-[(6-methyl-3-pyridinyl)methyl]-2-propan-2-ylpiperazine.
What is the SMILES notation for 5-cyclopropyl-5-methyl-1-[(6-methyl-3-pyridinyl)methyl]-2-propan-2-ylpiperazine?
The canonical SMILES for 5-cyclopropyl-5-methyl-1-[(6-methyl-3-pyridinyl)methyl]-2-propan-2-ylpiperazine is Cc1ccc(CN2CC(C)(C3CC3)NCC2C(C)C)cn1.
What is the InChIKey of 5-cyclopropyl-5-methyl-1-[(6-methyl-3-pyridinyl)methyl]-2-propan-2-ylpiperazine?
The InChIKey is IZQNUMZXBYMJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-13(2)17-10-20-18(4,16-7-8-16)12-21(17)11-15-6-5-14(3)19-9-15/h5-6,9,13,16-17,20H,7-8,10-12H2,1-4H3.
What are the key properties of 5-cyclopropyl-5-methyl-1-[(6-methyl-3-pyridinyl)methyl]-2-propan-2-ylpiperazine?
5-cyclopropyl-5-methyl-1-[(6-methyl-3-pyridinyl)methyl]-2-propan-2-ylpiperazine has a molecular weight of 287.45 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-cyclopropyl-5-methyl-1-[(6-methyl-3-pyridinyl)methyl]-2-propan-2-ylpiperazine is sourced from PubChem (CID 64941949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).