4-butyl-2-[4-methyl-1-(4-methylpentyl)piperazin-2-yl]morpholine

C19H39N3O — CID 144555613

IUPAC4-butyl-2-[4-methyl-1-(4-methylpentyl)piperazin-2-yl]morpholine
SMILESCCCCN1CCOC(C2CN(C)CCN2CCCC(C)C)C1
InChIInChI=1S/C19H39N3O/c1-5-6-9-21-13-14-23-19(16-21)18-15-20(4)11-12-22(18)10-7-8-17(2)3/h17-19H,5-16H2,1-4H3
InChIKeyVWYWXPQAYSOXOG-UHFFFAOYSA-N
MW325.54 g/mol
LogP2.54
Rot. Bonds8

About 4-butyl-2-[4-methyl-1-(4-methylpentyl)piperazin-2-yl]morpholine

4-butyl-2-[4-methyl-1-(4-methylpentyl)piperazin-2-yl]morpholine (PubChem CID 144555613) has the molecular formula C19H39N3O and a molecular weight of 325.54 g/mol. Its IUPAC name is 4-butyl-2-[4-methyl-1-(4-methylpentyl)piperazin-2-yl]morpholine.

Molecular Properties

Compound Name4-butyl-2-[4-methyl-1-(4-methylpentyl)piperazin-2-yl]morpholine
PubChem CID144555613
Molecular FormulaC19H39N3O
Molecular Weight325.54 g/mol
Exact Mass325.31
IUPAC Name4-butyl-2-[4-methyl-1-(4-methylpentyl)piperazin-2-yl]morpholine
SMILESCCCCN1CCOC(C2CN(C)CCN2CCCC(C)C)C1
InChIInChI=1S/C19H39N3O/c1-5-6-9-21-13-14-23-19(16-21)18-15-20(4)11-12-22(18)10-7-8-17(2)3/h17-19H,5-16H2,1-4H3
InChIKeyVWYWXPQAYSOXOG-UHFFFAOYSA-N
XLogP2.54
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.54
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2,4-bis(4-methylpentyl)morpholine
CID 149421762
[4-(4-methylpentyl)morpholin-2-yl]methanamine
CID 83157184
2-(bromomethyl)-4-(4-methylpentyl)morpholine
CID 83168587
N'-hydroxy-4-(4-methylpentyl)morpholine-2-carboximidamide
CID 83158543
4-(4-methylpentyl)morpholine-2-carbothioamide
CID 83156168
N-methyl-N-[[(2S)-4-(4-methylpentyl)morpholin-2-yl]methyl]ethanamine
CID 138727106
N-[[4-[2-(4-methylpentoxy)ethyl]morpholin-2-yl]methyl]butan-1-amine
CID 171540678
(2R)-3-butyl-2-(2-methylpropyl)-1,3-oxazolidine
CID 129405495
acetic acid;4-butyl-2-methylmorpholine
CID 175198746
2-[4-(4-methylpentyl)morpholin-2-yl]acetic acid
CID 83158040
2-propan-2-yl-4-propylmorpholine
CID 58468712
azane;4-dodecyl-2-methylmorpholine;hydrobromide
CID 174921468

Frequently Asked Questions

What is the IUPAC name of 4-butyl-2-[4-methyl-1-(4-methylpentyl)piperazin-2-yl]morpholine?
The IUPAC name of 4-butyl-2-[4-methyl-1-(4-methylpentyl)piperazin-2-yl]morpholine (CID 144555613) is 4-butyl-2-[4-methyl-1-(4-methylpentyl)piperazin-2-yl]morpholine.
What is the SMILES notation for 4-butyl-2-[4-methyl-1-(4-methylpentyl)piperazin-2-yl]morpholine?
The canonical SMILES for 4-butyl-2-[4-methyl-1-(4-methylpentyl)piperazin-2-yl]morpholine is CCCCN1CCOC(C2CN(C)CCN2CCCC(C)C)C1.
What is the InChIKey of 4-butyl-2-[4-methyl-1-(4-methylpentyl)piperazin-2-yl]morpholine?
The InChIKey is VWYWXPQAYSOXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N3O/c1-5-6-9-21-13-14-23-19(16-21)18-15-20(4)11-12-22(18)10-7-8-17(2)3/h17-19H,5-16H2,1-4H3.
What are the key properties of 4-butyl-2-[4-methyl-1-(4-methylpentyl)piperazin-2-yl]morpholine?
4-butyl-2-[4-methyl-1-(4-methylpentyl)piperazin-2-yl]morpholine has a molecular weight of 325.54 g/mol, XLogP of 2.54, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2-[4-methyl-1-(4-methylpentyl)piperazin-2-yl]morpholine is sourced from PubChem (CID 144555613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).