1-[2,4-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)pentan-2-yl]-4-(2-methoxyethyl)piperazine

C22H45N3O — CID 177062081

IUPAC1-[2,4-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)pentan-2-yl]-4-(2-methoxyethyl)piperazine
SMILESCOCCN1CCN(C(C)(C)CC(C)(C)C2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C22H45N3O/c1-19(2)24-10-8-20(9-11-24)21(3,4)18-22(5,6)25-14-12-23(13-15-25)16-17-26-7/h19-20H,8-18H2,1-7H3
InChIKeyVKOWZKWYPGXNJD-UHFFFAOYSA-N
MW367.62 g/mol
LogP3.57
Rot. Bonds8

About 1-[2,4-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)pentan-2-yl]-4-(2-methoxyethyl)piperazine

1-[2,4-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)pentan-2-yl]-4-(2-methoxyethyl)piperazine (PubChem CID 177062081) has the molecular formula C22H45N3O and a molecular weight of 367.62 g/mol. Its IUPAC name is 1-[2,4-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)pentan-2-yl]-4-(2-methoxyethyl)piperazine.

Molecular Properties

Compound Name1-[2,4-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)pentan-2-yl]-4-(2-methoxyethyl)piperazine
PubChem CID177062081
Molecular FormulaC22H45N3O
Molecular Weight367.62 g/mol
Exact Mass367.36
IUPAC Name1-[2,4-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)pentan-2-yl]-4-(2-methoxyethyl)piperazine
SMILESCOCCN1CCN(C(C)(C)CC(C)(C)C2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C22H45N3O/c1-19(2)24-10-8-20(9-11-24)21(3,4)18-22(5,6)25-14-12-23(13-15-25)16-17-26-7/h19-20H,8-18H2,1-7H3
InChIKeyVKOWZKWYPGXNJD-UHFFFAOYSA-N
XLogP3.57
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.62
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

butane;1-(2,4-dimethyl-4-piperidin-4-ylpentan-2-yl)-4-(2-methoxyethyl)piperazine;ethane;2-methylprop-1-ene;propanal
CID 177203645
1-tert-butyl-4-[2,5-dimethyl-5-(1-propan-2-ylpiperidin-4-yl)hexan-2-yl]piperazine
CID 138623766
1-[3-methyl-3-(1-methylpiperidin-4-yl)butyl]-4-propan-2-ylpiperazine
CID 146604413
ethane;1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine
CID 176581794
1-ethyl-4-[2-(1-propan-2-ylpiperidin-4-yl)oxyethyl]piperazine
CID 155702560
1-(2,4,4,6,6-pentamethylheptan-2-yl)-4-propan-2-ylpiperazine
CID 167181196
1-[2-methyl-4-(4-propan-2-yloxycyclohexyl)butan-2-yl]-4-propan-2-ylpiperazine
CID 170372805
1-cyclopropyl-4-(2-methoxyethyl)piperazine
CID 153207861
3-[4-(2-methoxyethyl)piperazin-1-yl]propanenitrile
CID 94254427
1-[2,5-dimethyl-5-[4-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]piperazin-1-yl]hexan-2-yl]-4-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]piperazine
CID 146526531
4-(1-bromoethyl)-1-(2-methoxyethyl)piperidine
CID 106838203
1-tert-butyl-4-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]piperazine
CID 139475119

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)pentan-2-yl]-4-(2-methoxyethyl)piperazine?
The IUPAC name of 1-[2,4-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)pentan-2-yl]-4-(2-methoxyethyl)piperazine (CID 177062081) is 1-[2,4-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)pentan-2-yl]-4-(2-methoxyethyl)piperazine.
What is the SMILES notation for 1-[2,4-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)pentan-2-yl]-4-(2-methoxyethyl)piperazine?
The canonical SMILES for 1-[2,4-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)pentan-2-yl]-4-(2-methoxyethyl)piperazine is COCCN1CCN(C(C)(C)CC(C)(C)C2CCN(C(C)C)CC2)CC1.
What is the InChIKey of 1-[2,4-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)pentan-2-yl]-4-(2-methoxyethyl)piperazine?
The InChIKey is VKOWZKWYPGXNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45N3O/c1-19(2)24-10-8-20(9-11-24)21(3,4)18-22(5,6)25-14-12-23(13-15-25)16-17-26-7/h19-20H,8-18H2,1-7H3.
What are the key properties of 1-[2,4-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)pentan-2-yl]-4-(2-methoxyethyl)piperazine?
1-[2,4-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)pentan-2-yl]-4-(2-methoxyethyl)piperazine has a molecular weight of 367.62 g/mol, XLogP of 3.57, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)pentan-2-yl]-4-(2-methoxyethyl)piperazine is sourced from PubChem (CID 177062081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).