1-(4-methoxy-2,4-dimethylpentyl)-4-(5-methoxy-2-pyridinyl)piperazine

C18H31N3O2 — CID 142385803

IUPAC1-(4-methoxy-2,4-dimethylpentyl)-4-(5-methoxy-2-pyridinyl)piperazine
SMILESCOc1ccc(N2CCN(CC(C)CC(C)(C)OC)CC2)nc1
InChIInChI=1S/C18H31N3O2/c1-15(12-18(2,3)23-5)14-20-8-10-21(11-9-20)17-7-6-16(22-4)13-19-17/h6-7,13,15H,8-12,14H2,1-5H3
InChIKeyHQMBBEFBHPBFRJ-UHFFFAOYSA-N
MW321.46 g/mol
LogP2.66
Rot. Bonds7

About 1-(4-methoxy-2,4-dimethylpentyl)-4-(5-methoxy-2-pyridinyl)piperazine

1-(4-methoxy-2,4-dimethylpentyl)-4-(5-methoxy-2-pyridinyl)piperazine (PubChem CID 142385803) has the molecular formula C18H31N3O2 and a molecular weight of 321.46 g/mol. Its IUPAC name is 1-(4-methoxy-2,4-dimethylpentyl)-4-(5-methoxy-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-(4-methoxy-2,4-dimethylpentyl)-4-(5-methoxy-2-pyridinyl)piperazine
PubChem CID142385803
Molecular FormulaC18H31N3O2
Molecular Weight321.46 g/mol
Exact Mass321.24
IUPAC Name1-(4-methoxy-2,4-dimethylpentyl)-4-(5-methoxy-2-pyridinyl)piperazine
SMILESCOc1ccc(N2CCN(CC(C)CC(C)(C)OC)CC2)nc1
InChIInChI=1S/C18H31N3O2/c1-15(12-18(2,3)23-5)14-20-8-10-21(11-9-20)17-7-6-16(22-4)13-19-17/h6-7,13,15H,8-12,14H2,1-5H3
InChIKeyHQMBBEFBHPBFRJ-UHFFFAOYSA-N
XLogP2.66
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(5-tert-butyl-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-amine
CID 107874264
1-[5-(2,3-dimethylbutan-2-yl)-2-pyridinyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 59019360
methyl 3-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]propanoate
CID 106504838
2-methyl-N-[3-[[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]oxy]propyl]propan-2-amine
CID 155769124
5-[4-(5-methoxy-2-pyridinyl)-1,4-diazepan-1-yl]pentan-1-amine
CID 106503661
1-(5-methoxy-2-pyridinyl)-1,4-diazepane
CID 83848456
N-[1-(5-methoxy-2-pyridinyl)piperidin-4-ylidene]hydroxylamine
CID 106503919
8-(5-methoxy-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 113236174
2-[4-[5-(trifluoromethoxy)-2-pyridinyl]piperazin-1-yl]ethanol
CID 133488124
(2S)-1-[4-[5-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]pyrazin-2-yl]piperazin-1-yl]propan-2-ol
CID 136583777
1-(4-methoxyphenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CID 4041027
1-(2,2,3,3-tetrafluoropropyl)-4-[5-(trifluoromethoxy)-2-pyridinyl]piperazine
CID 167756362

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,4-dimethylpentyl)-4-(5-methoxy-2-pyridinyl)piperazine?
The IUPAC name of 1-(4-methoxy-2,4-dimethylpentyl)-4-(5-methoxy-2-pyridinyl)piperazine (CID 142385803) is 1-(4-methoxy-2,4-dimethylpentyl)-4-(5-methoxy-2-pyridinyl)piperazine.
What is the SMILES notation for 1-(4-methoxy-2,4-dimethylpentyl)-4-(5-methoxy-2-pyridinyl)piperazine?
The canonical SMILES for 1-(4-methoxy-2,4-dimethylpentyl)-4-(5-methoxy-2-pyridinyl)piperazine is COc1ccc(N2CCN(CC(C)CC(C)(C)OC)CC2)nc1.
What is the InChIKey of 1-(4-methoxy-2,4-dimethylpentyl)-4-(5-methoxy-2-pyridinyl)piperazine?
The InChIKey is HQMBBEFBHPBFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-15(12-18(2,3)23-5)14-20-8-10-21(11-9-20)17-7-6-16(22-4)13-19-17/h6-7,13,15H,8-12,14H2,1-5H3.
What are the key properties of 1-(4-methoxy-2,4-dimethylpentyl)-4-(5-methoxy-2-pyridinyl)piperazine?
1-(4-methoxy-2,4-dimethylpentyl)-4-(5-methoxy-2-pyridinyl)piperazine has a molecular weight of 321.46 g/mol, XLogP of 2.66, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,4-dimethylpentyl)-4-(5-methoxy-2-pyridinyl)piperazine is sourced from PubChem (CID 142385803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).