ethane;1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine

C18H39N3O — CID 176581794

IUPACethane;1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine
SMILESCC.COCCN1CCC(CN2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C16H33N3O.C2H6/c1-15(2)19-10-8-18(9-11-19)14-16-4-6-17(7-5-16)12-13-20-3;1-2/h15-16H,4-14H2,1-3H3;1-2H3
InChIKeyUGBPMPXXGYLTNE-UHFFFAOYSA-N
MW313.53 g/mol
LogP2.40
Rot. Bonds6

About ethane;1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine

ethane;1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine (PubChem CID 176581794) has the molecular formula C18H39N3O and a molecular weight of 313.53 g/mol. Its IUPAC name is ethane;1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Nameethane;1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine
PubChem CID176581794
Molecular FormulaC18H39N3O
Molecular Weight313.53 g/mol
Exact Mass313.31
IUPAC Nameethane;1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine
SMILESCC.COCCN1CCC(CN2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C16H33N3O.C2H6/c1-15(2)19-10-8-18(9-11-19)14-16-4-6-17(7-5-16)12-13-20-3;1-2/h15-16H,4-14H2,1-3H3;1-2H3
InChIKeyUGBPMPXXGYLTNE-UHFFFAOYSA-N
XLogP2.40
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.53
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine
CID 177062108
1-(2-methoxyethyl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine
CID 167091343
1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]azepane
CID 47042992
1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
CID 167695333
ethane;1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-methylpiperazine
CID 142407871
ethane;4-ethyl-1-(2-methoxyethyl)piperidine
CID 177021605
ethane;N-[2-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]ethyl]-N-methylpropan-2-amine;1-(2-propan-2-yloxyethyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 177203726
1-(2-methoxyethyl)-4-[[(3S)-3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]piperidine
CID 42392613
1-(2-methoxyethyl)-4-[[(3R)-3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]piperidine
CID 42392615
1-[(1-tert-butylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine
CID 139475378
9-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-oxa-9-azaspiro[5.5]undecane
CID 56896311
4-ethoxy-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine
CID 171070473

Frequently Asked Questions

What is the IUPAC name of ethane;1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine?
The IUPAC name of ethane;1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine (CID 176581794) is ethane;1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for ethane;1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine?
The canonical SMILES for ethane;1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine is CC.COCCN1CCC(CN2CCN(C(C)C)CC2)CC1.
What is the InChIKey of ethane;1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine?
The InChIKey is UGBPMPXXGYLTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O.C2H6/c1-15(2)19-10-8-18(9-11-19)14-16-4-6-17(7-5-16)12-13-20-3;1-2/h15-16H,4-14H2,1-3H3;1-2H3.
What are the key properties of ethane;1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine?
ethane;1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine has a molecular weight of 313.53 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 176581794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).