1-[[5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-pyridinyl]methyl]-4-(2-methylpropyl)piperazine

C20H35N3O — CID 165380129

IUPAC1-[[5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-pyridinyl]methyl]-4-(2-methylpropyl)piperazine
SMILESCC(C)CN1CCN(Cc2ccc(CCOC(C)(C)C)cn2)CC1
InChIInChI=1S/C20H35N3O/c1-17(2)15-22-9-11-23(12-10-22)16-19-7-6-18(14-21-19)8-13-24-20(3,4)5/h6-7,14,17H,8-13,15-16H2,1-5H3
InChIKeyIERBGKKHCWKKNJ-UHFFFAOYSA-N
MW333.52 g/mol
LogP3.21
Rot. Bonds7

About 1-[[5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-pyridinyl]methyl]-4-(2-methylpropyl)piperazine

1-[[5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-pyridinyl]methyl]-4-(2-methylpropyl)piperazine (PubChem CID 165380129) has the molecular formula C20H35N3O and a molecular weight of 333.52 g/mol. Its IUPAC name is 1-[[5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-pyridinyl]methyl]-4-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-[[5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-pyridinyl]methyl]-4-(2-methylpropyl)piperazine
PubChem CID165380129
Molecular FormulaC20H35N3O
Molecular Weight333.52 g/mol
Exact Mass333.28
IUPAC Name1-[[5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-pyridinyl]methyl]-4-(2-methylpropyl)piperazine
SMILESCC(C)CN1CCN(Cc2ccc(CCOC(C)(C)C)cn2)CC1
InChIInChI=1S/C20H35N3O/c1-17(2)15-22-9-11-23(12-10-22)16-19-7-6-18(14-21-19)8-13-24-20(3,4)5/h6-7,14,17H,8-13,15-16H2,1-5H3
InChIKeyIERBGKKHCWKKNJ-UHFFFAOYSA-N
XLogP3.21
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.52
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-ethyl-2-pyridinyl)methyl]-4-methylpiperazine
CID 118638744
1-(2-methylpropyl)-4-[(4-propylphenyl)methyl]piperazine
CID 167264369
5-ethyl-2-(pyrrolidin-1-ylmethyl)pyridine
CID 89095451
5-ethyl-2-(piperidin-1-ylmethyl)pyridine
CID 58495459
4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol
CID 113222701
ethane;[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]methanamine;molecular hydrogen
CID 156794443
propan-2-yl 2-[4-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]methyl]piperazin-1-yl]pyridine-3-carboxylate
CID 71223832
1-[(5-ethyl-2-pyridinyl)methyl]-4-(2-methylsulfanylethyl)piperazine
CID 77096922
5-(2,2-dimethylpropyl)-2-(3-methylbutyl)pyridine
CID 146228113
1-propan-2-yl-4-[[5-[4-(2-pyrrolidin-1-ylethyl)phenyl]-2-pyridinyl]methyl]piperazine
CID 59543440
N-ethyl-6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridin-2-amine
CID 79234172
[5-(azetidin-1-ylmethyl)-2-pyridinyl]methanamine
CID 105437200

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-pyridinyl]methyl]-4-(2-methylpropyl)piperazine?
The IUPAC name of 1-[[5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-pyridinyl]methyl]-4-(2-methylpropyl)piperazine (CID 165380129) is 1-[[5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-pyridinyl]methyl]-4-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-[[5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-pyridinyl]methyl]-4-(2-methylpropyl)piperazine?
The canonical SMILES for 1-[[5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-pyridinyl]methyl]-4-(2-methylpropyl)piperazine is CC(C)CN1CCN(Cc2ccc(CCOC(C)(C)C)cn2)CC1.
What is the InChIKey of 1-[[5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-pyridinyl]methyl]-4-(2-methylpropyl)piperazine?
The InChIKey is IERBGKKHCWKKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O/c1-17(2)15-22-9-11-23(12-10-22)16-19-7-6-18(14-21-19)8-13-24-20(3,4)5/h6-7,14,17H,8-13,15-16H2,1-5H3.
What are the key properties of 1-[[5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-pyridinyl]methyl]-4-(2-methylpropyl)piperazine?
1-[[5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-pyridinyl]methyl]-4-(2-methylpropyl)piperazine has a molecular weight of 333.52 g/mol, XLogP of 3.21, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-pyridinyl]methyl]-4-(2-methylpropyl)piperazine is sourced from PubChem (CID 165380129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).