1,4-bis[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;ethane;4-ethyl-1-propan-2-ylpiperidine;2-methylpropane

C38H81N5 — CID 155702637

IUPAC1,4-bis[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;ethane;4-ethyl-1-propan-2-ylpiperidine;2-methylpropane
SMILESCC.CC(C)C.CC(C)N1CCC(CN2CCN(CC3CCN(C(C)C)CC3)CC2)CC1.CCC1CCN(C(C)C)CC1
InChIInChI=1S/C22H44N4.C10H21N.C4H10.C2H6/c1-19(2)25-9-5-21(6-10-25)17-23-13-15-24(16-14-23)18-22-7-11-26(12-8-22)20(3)4;1-4-10-5-7-11(8-6-10)9(2)3;1-4(2)3;1-2/h19-22H,5-18H2,1-4H3;9-10H,4-8H2,1-3H3;4H,1-3H3;1-2H3
InChIKeyYLVNJJTZYNNQBV-UHFFFAOYSA-N
MW608.10 g/mol
LogP8.05
Rot. Bonds8

About 1,4-bis[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;ethane;4-ethyl-1-propan-2-ylpiperidine;2-methylpropane

1,4-bis[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;ethane;4-ethyl-1-propan-2-ylpiperidine;2-methylpropane (PubChem CID 155702637) has the molecular formula C38H81N5 and a molecular weight of 608.10 g/mol. Its IUPAC name is 1,4-bis[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;ethane;4-ethyl-1-propan-2-ylpiperidine;2-methylpropane.

Molecular Properties

Compound Name1,4-bis[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;ethane;4-ethyl-1-propan-2-ylpiperidine;2-methylpropane
PubChem CID155702637
Molecular FormulaC38H81N5
Molecular Weight608.10 g/mol
Exact Mass607.65
IUPAC Name1,4-bis[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;ethane;4-ethyl-1-propan-2-ylpiperidine;2-methylpropane
SMILESCC.CC(C)C.CC(C)N1CCC(CN2CCN(CC3CCN(C(C)C)CC3)CC2)CC1.CCC1CCN(C(C)C)CC1
InChIInChI=1S/C22H44N4.C10H21N.C4H10.C2H6/c1-19(2)25-9-5-21(6-10-25)17-23-13-15-24(16-14-23)18-22-7-11-26(12-8-22)20(3)4;1-4-10-5-7-11(8-6-10)9(2)3;1-4(2)3;1-2/h19-22H,5-18H2,1-4H3;9-10H,4-8H2,1-3H3;4H,1-3H3;1-2H3
InChIKeyYLVNJJTZYNNQBV-UHFFFAOYSA-N
XLogP8.05
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.10
LogP ≤ 58.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1,4-bis[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;ethane;4-ethyl-1-propan-2-ylpiperidine;2-methylpropane with MolForge

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Launch Full Analysis

Related Compounds

1-Ethyl-4-[[1-(3-fluoro-1,1-dimethylpiperidin-1-ium-4-yl)piperidin-4-yl]methyl]piperazine
CID 175622910
1-[[3-Fluoro-1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]methyl]-4-propan-2-ylpiperazine
CID 175622915
Tetrakis(4-methylpiperidin-1-ide);platinum(4+)
CID 54603170
1-Azabicyclo[2.2.2]octane;2-methyl-1,4-diazabicyclo[2.2.2]octane
CID 19351690
N,N-dipropyl-1-azabicyclo[2.2.2]octan-3-amine
CID 53831323
N,N-dimethyl-1-azabicyclo[2.2.2]octan-3-amine
CID 54431570
1-[1,3-Bis[4-(1,1-dimethylpiperidin-1-ium-4-yl)-1-methylpiperidin-1-ium-1-yl]propan-2-yl]-4-[1-[1,3-bis[4-(1,1-dimethylpiperidin-1-ium-4-yl)-1-methylpiperidin-1-ium-1-yl]propan-2-yl]-1-methylpiperidin-1-ium-4-yl]-1-methylpiperidin-1-ium
CID 54501538
N-ethyl-N-methyl-1-azabicyclo[2.2.2]octan-3-amine
CID 54544728
N-[2,2-bis(1-methylpiperidin-4-yl)ethyl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine
CID 57105686
2-(Piperidin-1-ylmethyl)-1-azabicyclo[2.2.2]octane
CID 57219913
1,4,8,11-Tetrakis(2-piperidin-1-ylethyl)-azacyclotetradecane
CID 70010037
3-(4-Methylpiperazin-1-yl)-1-azabicyclo[2.2.2]octane
CID 70902451

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;ethane;4-ethyl-1-propan-2-ylpiperidine;2-methylpropane?
The IUPAC name of 1,4-bis[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;ethane;4-ethyl-1-propan-2-ylpiperidine;2-methylpropane (CID 155702637) is 1,4-bis[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;ethane;4-ethyl-1-propan-2-ylpiperidine;2-methylpropane.
What is the SMILES notation for 1,4-bis[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;ethane;4-ethyl-1-propan-2-ylpiperidine;2-methylpropane?
The canonical SMILES for 1,4-bis[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;ethane;4-ethyl-1-propan-2-ylpiperidine;2-methylpropane is CC.CC(C)C.CC(C)N1CCC(CN2CCN(CC3CCN(C(C)C)CC3)CC2)CC1.CCC1CCN(C(C)C)CC1.
What is the InChIKey of 1,4-bis[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;ethane;4-ethyl-1-propan-2-ylpiperidine;2-methylpropane?
The InChIKey is YLVNJJTZYNNQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N4.C10H21N.C4H10.C2H6/c1-19(2)25-9-5-21(6-10-25)17-23-13-15-24(16-14-23)18-22-7-11-26(12-8-22)20(3)4;1-4-10-5-7-11(8-6-10)9(2)3;1-4(2)3;1-2/h19-22H,5-18H2,1-4H3;9-10H,4-8H2,1-3H3;4H,1-3H3;1-2H3.
What are the key properties of 1,4-bis[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;ethane;4-ethyl-1-propan-2-ylpiperidine;2-methylpropane?
1,4-bis[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;ethane;4-ethyl-1-propan-2-ylpiperidine;2-methylpropane has a molecular weight of 608.10 g/mol, XLogP of 8.05, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;ethane;4-ethyl-1-propan-2-ylpiperidine;2-methylpropane is sourced from PubChem (CID 155702637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).